Reaction Details Report a problem with these data
Target
Peptidyl-prolyl cis-trans isomerase A
Ligand
BDBM50118071
Substrate
n/a
Meas. Tech.
ChEMBL_1620949 (CHEMBL3863232)
Kd
135000±n/a nM
Citation
 Granger, BA; Brown, DG Design and synthesis of peptide-based macrocyclic cyclophilin inhibitors. Bioorg Med Chem Lett 26:5304-5307 (2016) [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:
BDBM50118071
Synonyms:
CHEMBL125967 | N-[1-(2-{2-[1-(4-Nitro-phenylcarbamoyl)-2-phenyl-ethylcarbamoyl]-pyrrolidin-1-yl}-2-oxo-ethylcarbamoyl)-ethyl]-succinamic acid
Type:
Small organic molecule
Emp. Form.:
C29H34N6O9
Mol. Mass.:
610.6151
SMILES:
C[C@H](NC(=O)CCC(O)=O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)[N+]([O-])=O
Structure:
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