BDBM50481926 CHEMBL1077162
SMILES CC1=CN([C@H]2C[C@H](OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@]34CO[C@H]([C@@H]3O)[C@@H](O4)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3ccc(N)nc3=O)n3cnc4c(N)ncnc34)n3cnc4c3nc(N)[nH]c4=O)[C@@H](COP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]4[C@@H](COP(O)(=O)O[C@@H]5[C@@H](COP(O)(=O)O[C@@H]6[C@@H](COP(O)(=O)O[C@H]7C[C@@H](O[C@@H]7COP(O)(=O)O[C@H]7C[C@@H](O[C@@H]7COP(O)(=O)O[C@@H]7[C@@H](COP(O)(=O)O[C@@H]8[C@@H](COP(O)(=O)O[C@@H]9[C@@H](COP(O)(=O)O[C@@H]%10[C@@H](COP(O)(=O)O[C@@H]%11[C@@H](COP(O)(=O)O[C@@H]%12[C@@H](COP(O)(=O)O[C@@H]%13[C@@H](COP(O)(=O)O[C@@H]%14[C@@H](COP(O)(=O)O[C@H]%15C[C@@H](O[C@@H]%15COP(O)(=O)O[C@@H]%15[C@@H](COP(O)(=O)O[C@@H]%16[C@@H](COP(O)(=O)O[C@H]%17C[C@@H](O[C@@H]%17COP(O)(=O)O[C@@H]%17[C@@H](COP(O)(=O)O[C@@H]%18[C@@H](COP(O)(=O)O[C@@H]%19[C@@H](COP(O)(=O)O[C@H]%20C[C@@H](O[C@@H]%20COP(O)(=O)O[C@@H]%20[C@@H](COP(O)(=O)O[C@@H]%21[C@@H](COc%22ccc%23c(Oc%24cc(O)ccc%24C%23%23OC(=O)c%24ccccc%23%24)c%22)O[C@H]([C@@H]%21O)n%21cnc%22c(N)ncnc%21%22)O[C@H]([C@@H]%20O)n%20cnc%21c%20nc(N)[nH]c%21=O)n%20cc(C)c(=O)[nH]c%20=O)O[C@H]([C@@H]%19O)n%19ccc(N)nc%19=O)O[C@H]([C@@H]%18O)n%18ccc(N)nc%18=O)O[C@H]([C@@H]%17O)n%17cnc%18c%17nc(N)[nH]c%18=O)n%17cc(C)c(=O)[nH]c%17=O)O[C@H]([C@@H]%16O)n%16cnc%17c%16nc(N)[nH]c%17=O)O[C@H]([C@@H]%15O)n%15cnc%16c%15nc(N)[nH]c%16=O)n%15cc(C)c(=O)[nH]c%15=O)O[C@H]([C@@H]%14O)n%14cnc%15c(N)ncnc%14%15)O[C@H]([C@@H]%13O)n%13cnc%14c%13nc(N)[nH]c%14=O)O[C@H]([C@@H]%12O)n%12cnc%13c%12nc(N)[nH]c%13=O)O[C@H]([C@@H]%11O)n%11cnc%12c%11nc(N)[nH]c%12=O)O[C@H]([C@@H]%10O)n%10ccc(N)nc%10=O)O[C@H]([C@@H]9O)n9cnc%10c(N)ncnc9%10)O[C@H]([C@@H]8O)n8cnc9c8nc(N)[nH]c9=O)O[C@H]([C@@H]7O)n7cnc8c7nc(N)[nH]c8=O)n7cc(C)c(=O)[nH]c7=O)n7cc(C)c(=O)[nH]c7=O)O[C@H]([C@@H]6O)n6cnc7c6nc(N)[nH]c7=O)O[C@H]([C@@H]5O)n5cnc6c5nc(N)[nH]c6=O)O[C@H]([C@@H]4O)n4cnc5c4nc(N)[nH]c5=O)O[C@H]([C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)O2)C(=C)NC1=O
InChI Key InChIKey=DNGUFLXHRKMBAK-UHFFFAOYSA-N
Data 1 Kd
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 1 hit for monomerid = 50481926
