BDBM17350 (4S)-4-[(2S)-2-{[(2S,3S)-3-{[(tert-butoxy)carbonyl]amino}-2-hydroxy-4-phenylbutyl]amino}-3-phenylpropanamido]-4-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}butanoic acid::CHEMBL386563

SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](CN[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N)O

InChI Key InChIKey=MPMUDVMRFYJRLP-UHFFFAOYSA-N

Data  3 KI

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 17350   

TargetDimer of Gag-Pol polyprotein [501-599](Human immunodeficiency virus type 1)
Academy of Sciences of The Czech Republic

LigandPNGBDBM17350(CHEMBL386563 | (4S)-4-[(2S)-2-{[(2S,3S)-3-{[(tert-...)
Affinity DataKi:  0.150nMpH: 4.7Assay Description:Inhibition constants were determined by a spectrophotometric assay with the chromogenic peptide substrate.More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2004
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Academy of Sciences of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM17350(CHEMBL386563 | (4S)-4-[(2S)-2-{[(2S,3S)-3-{[(tert-...)
Affinity DataKi:  0.150nMAssay Description:Inhibition of wild type HIV1 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Academy of Sciences of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM17350(CHEMBL386563 | (4S)-4-[(2S)-2-{[(2S,3S)-3-{[(tert-...)
Affinity DataKi:  86nMAssay Description:Inhibition of HIV1 protease I8 mutantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)