346 SMILES Strings for Serine/threonine-protein kinase Nek2

Compound Name
SMILES String
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Nc1ccc(cn1)-c1ccc2ncc3c(n(-c4cccc(c4)C(F)(F)F)c(=O)[nH]c3=O)c2n1
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OC3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
CC(Oc1cc(ccc1C(N)=O)-n1cnc2cc(OC3CCN(C)CC3)ccc12)c1ccccc1C(F)(F)F
CSc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCN(CC1)C1CCNCC1
Oc1cccc(Nc2ccnc3[nH]c4ccccc4c23)c1
COc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccnc(F)c4)n3)c(C)c2)cc1
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC
COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CC[C@H]([C@@H](C)C1)C(O)=O |r|
COc1cc(ccc1C(O)=O)-c1nc(cnc1N)-c1cc(OC)c(OC)c(OC)c1
CCc1ccsc1-c1cnc(N)c(n1)N1CCC(CC1)C(O)=O
COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CC[C@H]([C@@H](C)[C@H]1C)C(O)=O |r|
COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CCC(CC1)C(O)=O
COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)-c1ccc(cc1)C(O)=O
COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)-c1ccc(C(O)=O)c(C)c1
CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5
Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
C[C@@H](Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(CN(C)C)cs1)c1ccccc1C(F)(F)F |r|
C[C@@H](Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(CN(C)C)cs1)\C=C/C(F)(F)F |r|
C[C@H](Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(CN(C)C)cs1)\C=C/C(F)(F)F |r|
CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)CN3CC[C@H](C3)C(=O)Nc4ccc(c(c4)Cl)O
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)N1CCNCC1
COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
c1cc(cnc1)C(=O)Nc2c[nH]c3c2cc(cn3)c4ccc(cc4)C#N
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|
O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
Nc1ncc(nc1N1CCC(CC1)C(O)=O)-c1sccc1C1CCCC1
Nc1ncc(nc1N1CCC(CC1)C(O)=O)-c1cccs1
Nc1ncc(nc1N1CCC(CC1)C(O)=O)-c1ccsc1
COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CC[C@@H]([C@H](C)[C@@H]1C)C(O)=O |r|
CCC[C@@H]1C[C@@H](CCN1c1nc(cnc1N)-c1cc(OC)c(OC)c(OC)c1)C(O)=O |r|
COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CC[C@H](C[C@H]1C(C)C)C(O)=O |r|
CC[C@@H]1C[C@@H](CCN1c1nc(cnc1N)-c1cc(OC)c(OC)c(OC)c1)C(O)=O |r|
COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CC[C@H](C[C@H]1C)C(O)=O |r|
COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CC[C@H]([C@H](C1)C1CC1)C(O)=O |r|
CC[C@H]1CN(CC[C@@H]1C(O)=O)c1nc(cnc1N)-c1cc(OC)c(OC)c(OC)c1 |r|
CCC[C@H]1CN(CC[C@H]1C(O)=O)c1nc(cnc1N)-c1cc(OC)c(OC)c(OC)c1 |r|
CC[C@H]1CN(CC[C@H]1C(O)=O)c1nc(cnc1N)-c1cc(OC)c(OC)c(OC)c1 |r|
COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CC[C@@H]([C@@H](C)C1)C(O)=O |r|
CCOc1cc(ccc1C(O)=O)-c1nc(cnc1N)-c1cc(OC)c(OC)c(OC)c1
COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CC[C@@H]([C@H](C)C1)C(O)=O |r|
CCc1cc(ccc1C(O)=O)-c1nc(cnc1N)-c1cc(OC)c(OC)c(OC)c1
COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)-c1ccc(cc1C)C(O)=O
COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CCC(CC1)C(N)=O
COC(=O)C1CCN(CC1)c1nc(cnc1N)-c1cc(OC)c(OC)c(OC)c1
COc1cc(cc(OC)c1OC)-c1cnc(N)c(n1)N1CCCCC1
Nc1nccnc1N1CCC(CC1)C(O)=O
Nc1ncc(nc1N1CCC(CC1)C(O)=O)-c1ccccc1
COc1ccc(cc1)-c1cnc(N)c(n1)N1CCC(CC1)C(O)=O
Nc1ncc(nc1N1CCC(CC1)C(O)=O)-c1sccc1C1CC1
COc1cc(OC)cc(c1)-c1cnc(N)c(n1)N1CCC(CC1)C(O)=O
COc1cccc(c1)-c1cnc(N)c(n1)N1CCC(CC1)C(O)=O
COc1ccc(cc1OC)-c1cnc(N)c(n1)N1CCC(CC1)C(O)=O
COc1ccc2cc([nH]c2c1)-c1n[nH]c2cccnc12
CN1CCC(CC1)Oc1ccc2ncn(-c3cc(OCc4ccccc4)c(s3)C(N)=O)c2c1
CC(Oc1cc(sc1C(N)=O)-n1cnc2ccc(OC3CCN(C)CC3)cc12)c1ccccc1
CN1CCC(CC1)Oc1ccc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(N)=O)c2c1
COc1cc(sc1C(N)=O)-n1cnc2ccc(OC3CCN(C)CC3)cc12
COc1cc(sc1C(N)=O)-n1cnc2ccccc12
CC(Oc1cc(sc1C(N)=O)-n1cnc2ccccc12)c1ccccc1C(F)(F)F
CC(Oc1cc(ccc1C(N)=O)-n1cnc2ccc(OC3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F
C[C@@H](Oc1cc(ccc1C(N)=O)-n1cnc2cc(OC3CCN(C)CC3)ccc12)c1ccccc1C(F)(F)F |r|
C[C@H](Oc1cc(ccc1C(N)=O)-n1cnc2cc(OC3CCN(C)CC3)ccc12)c1ccccc1C(F)(F)F |r|
CC(Oc1cc(ccc1C(N)=O)-n1cnc2cc(OCCCN(C)C)ccc12)c1ccccc1C(F)(F)F
CC(Oc1cc(ccc1C(N)=O)-n1cnc2cc(OC3CCN(CC3)C3CC3)ccc12)c1ccccc1C(F)(F)F
CCc1nc(C)c(C=C2C(=O)Nc3ccc(cc23)C(C)=O)[nH]1 |w:7.6|
CCc1nc(C)c(C=C2C(=O)N(C)c3ccc(NC(=O)C#C)cc23)[nH]1 |w:7.6|
CCc1nc(C)c(C=C2C(=O)Nc3ccc(NC(=O)C#CC)cc23)[nH]1 |w:7.6|
ClCC(=O)c1ccc2NC(=O)C(=Cc3cnc[nH]3)c2c1 |w:12.12|
Cc1nc[nH]c1C=C1C(=O)Nc2ccc(cc12)C(=O)CCl |w:6.6|
CCc1nc(C)c(C=C2C(=O)Nc3ccc(cc23)C(=O)CCl)[nH]1 |w:7.6|
CCc1nc(C)c(C=C2C(=O)N(C)c3ccc(cc23)C(=O)CCl)[nH]1 |w:7.6|
O=C(Nc1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1)C#C
O=C(Nc1ccc2NC(=O)C(=Cc3cnc[nH]3)c2c1)C#C |w:11.11|
Cc1nc[nH]c1C=C1C(=O)Nc2ccc(NC(=O)C#C)cc12 |w:6.6|
CCc1nc(C)c(C=C2C(=O)Nc3ccc(NC(=O)C#C)cc23)[nH]1 |w:7.6|
Cc1cc(O)cc2oc3cc(O)cc(O)c3c(=O)c12
Cc1c(O)c(O)cc2oc3cc(O)cc(O)c3c(=O)c12
CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N
C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F
CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl
c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4
CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F
c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C
CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
[O-][n+]1ccc2c(ccnc2c1-c1c(Cl)cccc1Cl)-c1ccc(F)cc1Cl |(12.75,-22.82,;14.08,-22.05,;14.08,-20.51,;15.41,-19.74,;16.75,-20.5,;18.08,-19.73,;19.42,-20.51,;19.42,-22.05,;18.08,-22.82,;16.74,-22.05,;15.42,-22.83,;15.42,-24.36,;14.08,-25.13,;12.75,-24.36,;14.09,-26.67,;15.42,-27.44,;16.76,-26.66,;16.75,-25.12,;18.08,-24.34,;18.08,-18.2,;19.42,-17.43,;19.42,-15.89,;18.08,-15.12,;18.08,-13.58,;16.75,-15.89,;16.75,-17.43,;15.42,-18.2,)|
CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@@H](O)CC[C@]12C |r|
CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2ccccc2F)c1
CC(Oc1cc(ccc1C(N)=O)-c1cnc2cc(ccn12)N1CCN(C)CC1)c1ccccc1C(F)(F)F
CNC(=O)c1ccc(cc1OC(C)c1ccccc1C(F)(F)F)-c1cnc2cc(ccn12)N1CCN(C)CC1
CN1CCN(CC1)c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2ccccc2)c1
NC(=O)c1ccc(cc1OCc1ccccc1C(F)(F)F)-c1cnc2cc(Cl)ccn12
NC(=O)c1ccc(cc1OCc1ccccc1C(F)(F)F)-c1cnc2cc(OC3CCNCC3)ccn12
C[C@H](Oc1cc(ccc1C(N)=O)-c1cnc2cc(OC3CCN(C)CC3)ccn12)c1ccccc1C(F)(F)F |r|
CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2cccc(c2)C(F)(F)F)c1
CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2ccccc2C(F)(F)F)c1
C[C@@H](Oc1cc(ccc1C(N)=O)-c1cnc2cc(OC3CCN(CC3)C(=O)OC(C)(C)C)ccn12)c1ccccc1C(F)(F)F |r|
CN1CCN(CC1)c1ccn2c(cnc2c1)-c1ccc(C(=O)NO)c(OCc2ccccc2C(F)(F)F)c1
CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2ccccc2)c1
CN1CCN(CC1)c1ccn2c(cnc2c1)-c1ccc(C(O)=O)c(OCc2ccccc2C(F)(F)F)c1
C[C@@H](Oc1cc(ccc1C(N)=O)-c1cnc2cc(ccn12)-c1cnn(CCN(C)C)c1)c1ccccc1C(F)(F)F |r|
CN1CCC(CC1)Oc1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2ccccc2)c1
CC(Oc1cc(ccc1C(N)=O)-c1cnc2cc(OC3CCN(C)CC3)ccn12)c1ccccc1C(F)(F)F
COC(=O)c1ccc(cc1OC(C)c1ccccc1C(F)(F)F)-c1cnc2cc(ccn12)N1CCN(C)CC1
COc1cc(ccc1C(N)=O)-c1cnc2cc(ccn12)N1CCN(C)CC1
CN1CCN(CC1)c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2ccccc2C(F)(F)F)c1
CC(C)(C)OC(=O)N1CCC(CC1)Oc1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2ccccc2C(F)(F)F)c1
CN1CCN(CC1)c1ccn2c(cnc2c1)-c1ccc(C(=O)NCCN)c(OCc2ccccc2C(F)(F)F)c1
CN1CCC(CC1)Oc1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2ccccc2C(F)(F)F)c1
CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2cccc(F)c2)c1
C[C@@H](Oc1cc(ccc1C(N)=O)-c1cnc2cc(OC3CCN(C)CC3)ccn12)c1ccccc1C(F)(F)F |r|
CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2ccc(cc2)C(F)(F)F)c1
C[C@@H](Oc1cc(ccc1C(N)=O)-c1cnc2cc(ccn12)N1CCN(C)CC1)c1ccccc1C(F)(F)F |r|
CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1
Cc1c2ccc(cc2[nH]n1)Nc3nc4ccoc4c(n3)NC5CC5
CC1(C)OCC(=O)Nc2cc(Nc3nc(NCC(F)(F)F)c4occc4n3)ccc12
FC(F)(F)CNc1nc(Nc2ccc3cn[nH]c3c2)nc2ccoc12
FC(F)(F)CNc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2ccoc12
CC(C)NCc1ccc(Nc2cc(n[nH]2)-c2ccc(cc2)-c2ccc(O)cc2O)cc1
Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r|
COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
CC[N@](Cc1cc(sn1)Nc2c3ncc(n3cc(n2)C)c4c[nH]nc4)C(C)(C)CO
CSc1ccccc1Nc2c3c(c(ncn3)NCC4CC4)nc(n2)N5CCNCC5
CC(Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cccc(CN(C)C)c1)c1ccccc1C(F)(F)F
CC(Oc1cc(ccc1C(N)=O)-c1nc(cnc1N)-c1ccc(CN(C)C)cc1)c1ccccc1C(F)(F)F
CC(Oc1cc(ccc1C(N)=O)-c1nc(cnc1N)-c1cccc(CN(C)C)c1)c1ccccc1C(F)(F)F
CC(Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1ccc(CN(C)C)cc1)c1ccccc1C(F)(F)F
CC(Oc1cc(ccc1C(N)=O)-c1nc(cnc1N)-c1ccc(CN(C)C)s1)c1ccccc1C(F)(F)F
CC(Oc1cc(ccc1C(N)=O)-c1nc(cnc1N)-c1cc(CN(C)C)cs1)c1ccccc1C(F)(F)F
CC(Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1ccc(CN(C)C)s1)c1ccccc1C(F)(F)F
CC(Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(C)c(CN(C)C)s1)c1ccccc1C(F)(F)F
CC(Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1sc(CN(C)C)cc1C)c1ccccc1C(F)(F)F
CC(Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cccs1)c1ccccc1C(F)(F)F
COc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(CN(C)C)cs1
COc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cccs1
CC(Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1ccc(CN2CCCCC2)s1)c1ccccc1C(F)(F)F
CC(Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1ccc(CN2CCOCC2)s1)c1ccccc1C(F)(F)F
CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccncc3)n2)c(=O)c1=O
CN(C)C1CCC(CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1-c1cc(C)no1 |(9.04,-43.08,;10.39,-42.35,;11.7,-43.16,;10.44,-40.81,;9.13,-40,;9.18,-38.46,;10.53,-37.74,;11.85,-38.53,;11.8,-40.08,;10.57,-36.2,;9.81,-34.87,;8.27,-34.86,;7.51,-33.53,;5.96,-33.52,;5.2,-32.19,;5.97,-30.85,;5.21,-29.52,;5.98,-28.19,;3.67,-29.52,;2.89,-30.86,;1.35,-30.86,;3.66,-32.19,;8.27,-32.2,;9.8,-32.19,;10.58,-33.53,;12.11,-33.53,;12.6,-34.99,;14.14,-34.99,;15.06,-36.23,;14.61,-33.52,;13.35,-32.62,)|
CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O |r|
CN(C)C1CCC(CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1C(=O)NC1CCN(C)CC1 |(47.36,-51.36,;48.9,-51.37,;49.67,-52.7,;49.68,-50.04,;48.92,-48.7,;49.7,-47.37,;51.23,-47.39,;52.01,-48.71,;51.22,-50.05,;52,-46.06,;51.24,-44.72,;49.7,-44.72,;48.94,-43.38,;47.4,-43.38,;46.63,-42.04,;47.41,-40.71,;46.64,-39.37,;47.41,-38.04,;45.1,-39.37,;44.33,-40.71,;42.79,-40.71,;45.1,-42.04,;49.7,-42.05,;51.24,-42.05,;52.01,-43.39,;53.55,-43.39,;54.32,-44.72,;54.32,-42.06,;55.86,-42.06,;56.62,-43.39,;58.16,-43.4,;58.94,-42.07,;60.48,-42.08,;58.17,-40.73,;56.62,-40.72,)|
Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O
COc1ccc2c(c1)C(=O)N(C2)c3nc(cs3)C(=O)Nc4cnccc4N5CCNCC5
Clc1ccc(cc1)-c1cc2Cc3cc(ccc3N(Cc3ccccc3-c3cccnc3)C(=O)c2o1)N1CCNCC1
CC(=O)Nc1cccc(c1)-c1cnc2[nH]nc(C)c2c1
c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
Cc1c(O)c(O)c2oc(cc2c1C=O)-c1c(C)c(O)c(O)c(O)c1C=O
Cc1c2COC(=O)c2c(O)c(O)c1O
COCc1c(C)c(O)c(O)c(O)c1C=O
COC1OC(=O)c2c1c(C)c(O)c(O)c2O
Cc1c(O)c(O)c2O[C@H]3O[C@H](C(=O)c4c(O)c(O)c(O)c(C)c34)c2c1C=O |r|
CN(C)C(=O)c1ccc(Nc2cc3n(C(=O)OC(C)(C)C)c(cc3cn2)-c2cnn(C)c2)c(Cl)c1
COC(=O)c1cc(O)c(O)c(C[C@]2(C)[C@@H](C)CC[C@]3(C)[C@H]2CCC=C3C)c1 |r,c:24|
COc1cc2nc(C)oc2c(C[C@]2(C)[C@@H](C)CC[C@]3(C)[C@H]2CCC=C3C)c1O |r,c:25|
CC(C)CC=Nc1cc(O)c(O)c(C[C@]2(C)[C@@H](C)CC[C@]3(C)[C@H]2CCC=C3C)c1O |r,w:5.5,c:26|
CCN(CCO)Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1
Cc1cn2c(cnc2c(Nc2cc(Cc3ccccn3)ns2)n1)-c1cn[nH]c1
O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1
CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncccc34)c2)CC1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12
CCn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc12
OC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1
CN1CCC(CC1)Nc1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1cc(cs1)C#N
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Cc1sc(cc1-c1cnn2cc(Cl)cnc12)C(=O)N[C@@H]1[C@H](N)CCCC1(F)F |r|
FC(F)(F)CNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCCCC2)cc1
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r|
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NCC(F)(F)F
NC(=O)c1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1
NC(=O)CCc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1
CNC(=O)Cc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1
CNC(=O)Cc1ccc(Nc2nc(C#C)c3nc[nH]c3n2)cc1
CN(C)C(=O)Cc1ccc(Nc2nc(C#C)c3nc[nH]c3n2)cc1
CNC(=O)C(C(=O)NC)c1ccc(Nc2nc(C#C)c3nc[nH]c3n2)cc1
CNC(=O)c1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1
CN(C)C(=O)c1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1
NC(=O)c1ccc(Nc2nc(C#C)c3nc[nH]c3n2)cc1
CNC(=O)c1ccc(Nc2nc(C#C)c3nc[nH]c3n2)cc1
CN(C)C(=O)c1ccc(Nc2nc(C#C)c3nc[nH]c3n2)cc1
CC(=O)Nc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1
CC(C)(C(N)=O)c1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1
NC(=O)Cc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1
NC(=O)Cc1ccc(Nc2nc(C#C)c3nc[nH]c3n2)cc1
CN(C)C(=O)Cc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1
O=C1Cc2cc(Nc3nc(C#C)c4nc[nH]c4n3)ccc2N1
O=C1Cc2cccc(Nc3nc(C#C)c4nc[nH]c4n3)c2N1
CN1CCc2ccc(Nc3nc(C#C)c4nc[nH]c4n3)cc2C1=O
CN1Cc2cc(Nc3nc(C#C)c4nc[nH]c4n3)ccc2CC1=O
CC(=O)Cc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1
CS(=O)(=O)Cc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1
NS(=O)(=O)Cc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1
CN(C)S(=O)(=O)Cc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1
C#Cc1nc(Nc2ccccc2)nc2[nH]cnc12
NS(=O)(=O)c1ccc(Nc2nc(C#C)c3nc[nH]c3n2)cc1
CCc1nc(Nc2ccc(cc2)S(N)(=O)=O)nc2[nH]cnc12
c1ccc(cc1)Nc2nc(c3c(n2)[nH]cn3)C#N
c1cc(cc(c1)Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3)C(=O)N
CC(C)(C)c1cc(NC(=O)Cc2ccc(Nc3ncnc4[nH]c(cc34)-c3ccc(cc3)S(C)(=O)=O)cc2)no1
Cn1cc(cn1)-c1cc2ncnc(Nc3ccc(CC(=O)Nc4cc(nn4C)C(C)(C)C)cc3)c2s1
C[C@@H](Oc1cc(sc1C(N)=O)-c1cnc2cc(ccn12)-c1cnn(CCN(C)C)c1)c1ccccc1C(F)(F)F |r|
CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(s1)C(N)=O
Cn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(s1)C(N)=O
Cn1cc(cn1)-c1ccc(s1)-c1cnc2cc(ccn12)-c1cnn(C)c1
Cn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(s1)-c1ccc(F)cc1
Cn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(s1)-c1cccc(F)c1
Cn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(s1)-c1ccc(Cl)cc1
Cn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(s1)-c1cccc(Cl)c1
COc1cccc(OC)c1-c1ccc(s1)-c1cnc2cc(ccn12)-c1cnn(C)c1
Cn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(s1)-c1ccncc1
Cn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(s1)-c1cccnc1
Cn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(s1)-c1cccc(c1)C(F)(F)F
Cn1cc(cn1)-c1ccc(s1)-c1cnc2cc(ccn12)-c1ccc(cc1)S(C)(=O)=O
CS(=O)(=O)c1ccc(cc1)-c1ccn2c(cnc2c1)-c1ccc(s1)-c1ccc(F)cc1
CS(=O)(=O)c1ccc(cc1)-c1ccn2c(cnc2c1)-c1ccc(s1)-c1ccccc1C(F)(F)F
CS(=O)(=O)c1ccc(cc1)-c1ccn2c(cnc2c1)-c1ccc(s1)-c1ccncc1
CS(=O)(=O)c1ccc(cc1)-c1ccn2c(cnc2c1)-c1ccc(s1)-c1cccnc1
CC(C)(C)c1ccc(cc1)-c1ccc(s1)-c1cnc2cc(ccn12)-c1ccc(cc1)S(C)(=O)=O
CS(=O)(=O)c1ccc(cc1)-c1ccn2c(cnc2c1)-c1ccc(s1)-c1ccoc1
Cn1cc(cn1)-c1ccc(s1)-c1cnc2ccc(cn12)-c1cnn(C)c1
Cn1cc(cn1)-c1ccc2ncc(-c3ccc(s3)-c3ccc(F)cc3)n2c1
Cn1cc(cn1)-c1ccc2ncc(-c3ccc(s3)-c3ccc(Cl)cc3)n2c1
Cn1cc(cn1)-c1ccc2ncc(-c3ccc(s3)-c3ccoc3)n2c1
Cn1cc(cn1)-c1ccc(s1)-c1cnc2ccc(cn12)-c1ccc(cc1)S(C)(=O)=O
CS(=O)(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(s3)-c3ccc(F)cc3)n2c1
CS(=O)(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(s3)-c3cccc(Cl)c3)n2c1
Fc1ccc(cc1)-c1ccc(s1)-c1cnc2ccccn12
Cn1cc(cn1)-c1ccc(s1)-c1cnc2ccccn12
Cc1cccn2c(cnc12)-c1ccc(s1)-c1ccc(F)cc1
Cc1cccn2c(cnc12)-c1ccc(s1)-c1cnn(C)c1
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Nc2ccc(CC(=O)Nc3cccc(F)c3)cc2)n1
COc1cccc(c1)C1=C(Nc2ccc(Cl)c(c2)C(O)=O)C(=O)NC1=O |c:9|
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F
CN(C)CCCNC(=O)Cc1cccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)c1
Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
Cc1cc2cc(ccc2[nH]1)-c1csc2c(cnc(N)c12)-c1cccc(c1)S(C)(=O)=O
C[C@H](O)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
CS(=O)(=O)N1CCC2(CC1)NC(=O)C(=N2)c1ccc(Br)cc1 |c:14|
CC(C)(C)c1ccc(cc1)C1=NC2(CCN(CC2)S(C)(=O)=O)NC1=O |t:11|
Cc1ccc(cc1)C1=NC2(CCN(CC2)S(C)(=O)=O)NC1=O |t:8|
Cc1ccc(cc1C)C1=NC2(CCN(CC2)S(C)(=O)=O)NC1=O |t:9|
Brc1ccc(cc1)C1=NC2(CCN(CC2)S(=O)(=O)Cc2ccccc2)NC1=O |t:8|
Brc1ccc(cc1)C1=NC2(CCN(CC2)S(=O)(=O)c2cccs2)NC1=O |t:8|
Brc1ccc(cc1)C1=NC2(CCN(CC2)S(=O)(=O)c2ccccc2)NC1=O |t:8|
Clc1ccc(cc1)C1=NC2(CCN(CC2)S(=O)(=O)c2ccccc2)NC1=O |t:8|
Fc1ccc(cc1)C1=NC2(CCN(CC2)S(=O)(=O)c2ccccc2)NC1=O |t:8|
O=C1NC2(CCN(CC2)S(=O)(=O)c2ccccc2)N=C1c1ccccc1 |c:20|
Brc1ccc(cc1)C1=NC2(CCN(CC2)C(=O)c2ccccc2)NC1=O |t:8|
CCOC(=O)c1ccc(cc1)S(=O)(=O)N1CCC2(CC1)NC(=O)C(=N2)c1ccc(Br)cc1 |c:25|
CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2(CC1)NC(=O)C(=N2)c1ccc(Br)cc1 |c:24|
Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC2(CC1)NC(=O)C(=N2)c1ccc(Br)cc1 |c:23|
Cc1ccc(cc1C)S(=O)(=O)N1CCC2(CC1)NC(=O)C(=N2)c1ccc(Br)cc1 |c:22|
CS(=O)(=O)N1CCC2(CC1)NCC(=O)N2
O=C1CNC2(CCNCC2)N1
CN1CCC2(CC1)NCC(=O)N2
Cc1cccc(-c2ccc(-c3cc4cnc(NC(CO)CO)nc4n(CCCCN)c3=O)c(Cl)c2)n1
C[C@@H](C(F)(F)F)N(Cc1ccc(cc1)F)C(=O)CN2C(=O)[C@]3(CCc4c3ccc(c4)NC(=O)NC)OC2=O
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
Cc1cc2c(c[nH]c2nc1)Cc3ccc(nc3F)NCc4cc(cnc4OC)F
COc1cc2c(cc1NC(=O)/C=C/CN3CCCCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12
O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
CC[C@@H]1CN(C[C@@H]1c1cnc2cnc3[nH]ccc3n12)C(=O)NCC(F)(F)F |r|
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC