Reaction Details Report a problem with these data
Target
Peptidyl-prolyl cis-trans isomerase A
Ligand
BDBM50230210
Substrate
n/a
Meas. Tech.
ChEMBL_1644715 (CHEMBL3993644)
Ki
16±n/a nM
Citation
 Steadman, VA; Pettit, SB; Poullennec, KG; Lazarides, L; Keats, AJ; Dean, DK; Stanway, SJ; Austin, CA; Sanvoisin, JA; Watt, GM; Fliri, HG; Liclican, AC; Jin, D; Wong, MH; Leavitt, SA; Lee, YJ; Tian, Y; Frey, CR; Appleby, TC; Schmitz, U; Jansa, P; Mackman, RL; Schultz, BE Discovery of Potent Cyclophilin Inhibitors Based on the Structural Simplification of Sanglifehrin A. J Med Chem 60:1000-1017 (2017) [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:
BDBM50230210
Synonyms:
CHEMBL4090107
Type:
Small organic molecule
Emp. Form.:
C34H50N4O8
Mol. Mass.:
642.7828
SMILES:
CO[C@H]1\C=C\C=C\CCOC(=O)[C@@H]2CCCN(N2)C(=O)[C@H](Cc2cccc(O)c2)NC(=O)[C@@H](NC(=O)[C@H](C)[C@H](OC)[C@H]1C)C(C)C |r,t:3,5|
Structure:
Search PDB for entries with ligand similarity: