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Target
Peptidyl-prolyl cis-trans isomerase A
Ligand
BDBM50037809
Substrate
n/a
Meas. Tech.
ChEMBL_51869 (CHEMBL665880)
IC50
2.3±n/a nM
Citation
 Papageorgiou, C; Florineth, A; Mikol, V Improved binding affinity for cyclophilin A by a cyclosporin derivative singly modified at its effector domain. J Med Chem 37:3674-6 (1994) [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:
BDBM50037809
Synonyms:
(R)-30-Ethyl-33-((E)-(1R,2R)-1-hydroxy-2-methyl-hex-4-enyl)-6,9,18-triisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-24-((S)-2-methyl-butyl)-1,4,7,10,13,16,19,22,25,28,31undecaaza-cyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone | CHEMBL2375162
Type:
Small organic molecule
Emp. Form.:
C63H113N11O12
Mol. Mass.:
1216.6378
SMILES:
[H][C@@]1([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](C[C@@H](C)CC)N(C)C(=O)CN(C)C(=O)C(CC)NC1=O)C(C)C
Structure:
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