Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM13936
Substrate
n/a
Meas. Tech.
ChEMBL_158036 (CHEMBL768260)
Ki
776±n/a nM
Citation
 Doweyko, AM Three-dimensional pharmacophores from binding data. J Med Chem 37:1769-78 (1994) [PubMed]  Article 
Target
Name:
Gag-Pol polyprotein [489-587]
Synonyms:
Human immunodeficiency virus type 1 protease | POL_HV1H2 | Pol polyprotein | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10781.16
Organism:
Human immunodeficiency virus type 1
Description:
P04585[489-587]
Residue:
99
Sequence:
PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM13936
Synonyms:
(2S)-N-[(1S)-4-carbamimidamido-1-carbamoylbutyl]-2-[(2S)-2-{[(2S)-2-[(2S,3S)-2-[(2S,3R)-2-acetamido-3-hydroxybutanamido]-3-methylpentanamido]hexyl]amino}hexanamido]pentanediamide | Ac-Thr-Ile-Nle-r-Nle-Gln-Arg-NH2 | Ace-T-I-Nle-r-Nle-Q-R | CHEMBL48996 | N-1465 | Peptide Inhibitor p2/NC
Type:
8-mer
Emp. Form.:
C35H67N11O8
Mol. Mass.:
769.9754
SMILES:
CCCC[C@@H](CN[C@@H](CCCC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)CC |r|
Structure:
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