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Target
Peptidyl-prolyl cis-trans isomerase B
Ligand
BDBM50323721
Substrate
n/a
Meas. Tech.
ChEMBL_676204 (CHEMBL1273324)
IC50
10.3±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 B
Synonyms:
CYP-S1 | CYPB | Cyclophilin B | Cyclophilin B (CypB) | PPIB | PPIB_HUMAN | PPIase | Peptidyl-prolyl cis-trans isomerase B | Rotamase | S-cyclophilin | SCYLP
Type:
Protein
Mol. Mass.:
23751.82
Organism:
Homo sapiens (Human)
Description:
P23284
Residue:
216
Sequence:
MLRLSERNMKVLLAAALIAGSVFFLLLPGPSAADEKKKGPKVTVKVYFDLRIGDEDVGRVIFGLFGKTVPKTVDNFVALATGEKGFGYKNSKFHRVIKDFMIQGGDFTRGDGTGGKSIYGERFPDENFKLKHYGPGWVSMANAGKDTNGSQFFITTVKTAWLDGKHVVFGKVLEGMEVVRKVESTKTDSRDKPLKDVIIADCGKIEVEKPFAIAKE
  
Inhibitor
Name:
BDBM50323721
Synonyms:
(3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-27-(2-(dimethylamino)ethylthio)-30-ethyl-33-((1R,2R,E)-1-hydroxy-2-methylhex-4-enyl)-24-(2-hydroxy-2-methylpropyl)-6,9,18-triisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone | CHEMBL1213341 | SCY-635
Type:
Small organic molecule
Emp. Form.:
C66H120N12O13S
Mol. Mass.:
1321.797
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](C)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)O)N(C)C(=O)[C@H](SCCN(C)C)N(C)C1=O)C(C)C |r|
Structure:
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