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Target
Peptidyl-prolyl cis-trans isomerase A
Ligand
BDBM50087870
Substrate
n/a
Meas. Tech.
ChEMBL_154349 (CHEMBL759111)
IC50
>10000000±n/a nM
Citation
 Li, Q; Moutiez, M; Charbonnier, JB; Vaudry, K; Ménez, A; Quéméneur, E; Dugave, C Design of a Gag pentapeptide analogue that binds human cyclophilin A more efficiently than the entire capsid protein: new insights for the development of novel anti-HIV-1 drugs. J Med Chem 43:1770-9 (2000) [PubMed]  Article 
Target
Name:
Peptidyl-prolyl cis-trans isomerase A
Synonyms:
CYPA | CYPA PPIase | Cyclophilin A | Cyclosporin A-binding protein | PPIA | PPIA_HUMAN | PPIase A | Peptidyl-prolyl cis-trans isomerase A | Rotamase A
Type:
Protein
Mol. Mass.:
18015.32
Organism:
Homo sapiens (Human)
Description:
P62937
Residue:
165
Sequence:
MVNPTVFFDIAVDGEPLGRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFHRIIPGFMCQGGDFTRHNGTGGKSIYGEKFEDENFILKHTGPGILSMANAGPNTNGSQFFICTAKTEWLDGKHVVFGKVKEGMNIVEAMERFGSRNGKTSKKITIADCGQLE
  
Inhibitor
Name:
BDBM50087870
Synonyms:
4-{[1-(2-{2-[2-(2-Acetylamino-3-methyl-butyrylamino)-3-(3H-imidazol-4-yl)-propionylamino]-propionylamino}-acetyl)-pyrrolidine-2-carbonyl]-amino}-piperidine-4-carboxylic acid (1-carbamoyl-ethyl)-amide | CHEMBL296587
Type:
Small organic molecule
Emp. Form.:
C32H51N11O8
Mol. Mass.:
717.8162
SMILES:
CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NC1(CCNCC1)C(=O)N[C@H](C)C(N)=O
Structure:
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