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Target
Peptidyl-prolyl cis-trans isomerase A
Ligand
BDBM50330198
Substrate
n/a
Meas. Tech.
ChEMBL_676203 (CHEMBL1273323)
IC50
26.6±n/a nM
Citation
 Scribner, A; Houck, D; Huang, Z; Mosier, S; Peel, M; Scorneaux, B Synthesis and biological evaluation of [D-lysine]8cyclosporin A analogs as potential anti-HCV agents. Bioorg Med Chem Lett 20:6542-6 (2010) [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:
BDBM50330198
Synonyms:
(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-12-(4-(diethylamino)butyl)-30-ethyl-33-((1R,2R)-1-hydroxy-2-methylhex-4-enyl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,15,19,25,28-octamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone | CHEMBL1269596
Type:
Small organic molecule
Emp. Form.:
C69H126N12O12
Mol. Mass.:
1315.8119
SMILES:
CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CCCCN(CC)CC)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r|
Structure:
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