Reaction Details Report a problem with these data
Target
Peptidyl-prolyl cis-trans isomerase A
Ligand
BDBM50198903
Substrate
n/a
Meas. Tech.
ChEMBL_1620950 (CHEMBL3863233)
Kd
127000±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:
BDBM50198903
Synonyms:
CHEMBL3968461
Type:
Small organic molecule
Emp. Form.:
C20H31F3N4O9
Mol. Mass.:
528.4767
SMILES:
OC(=O)C(F)(F)F.C[C@@]1(N)COCCCCOC[C@H](NC(=O)[C@@H]2CCCN2C(=O)CNC1=O)C(O)=O |r|
Structure:
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