BDBM199 (2S)-N-[(2S,3R,4S,5S)-3,4-dihydroxy-5-[(2S)-3-methyl-2-{[methyl(pyridin-2-ylmethyl)carbamoyl]amino}butanamido]-1,6-diphenylhexan-2-yl]-3-methyl-2-{[methyl(pyridin-2-ylmethyl)carbamoyl]amino}butanamide::A-77003::[2PyridCH2NCH3CO-Val-NHCH(Bz)]CHOHCHOH

SMILES CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc3ccccn3)O)O)NC(=O)N(C)Cc4ccccn4

InChI Key InChIKey=QPVWMQXBTCSLCB-UHFFFAOYSA-N

Data  1 KI  1 IC50  1 Kd

PDB links: 2 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 199   

TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
TBA

Curated by ChEMBL
LigandPNGBDBM199((2S)-N-[(2S,3R,4S,5S)-3,4-dihydroxy-5-[(2S)-3-meth...)
Affinity DataIC50: 1nMAssay Description:Compound was evaluated for the inhibition of HIV proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2010
Entry Details Article
PDB3D3D Structure (crystal)
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
TBA

Curated by ChEMBL
LigandPNGBDBM199((2S)-N-[(2S,3R,4S,5S)-3,4-dihydroxy-5-[(2S)-3-meth...)
Affinity DataKd:  0.0832nMAssay Description:Affinity for HIV ProteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Nci-Fcrdc

LigandPNGBDBM199((2S)-N-[(2S,3R,4S,5S)-3,4-dihydroxy-5-[(2S)-3-meth...)
Affinity DataKi:  0.0120nM ΔG°:  -15.1kcal/molepH: 4.7 T: 2°CAssay Description:HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-GABA-Ser-Gln-Tyr-P...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/8/2002
Entry Details Article
PDB3D3D Structure (crystal)