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Target
Peptidyl-prolyl cis-trans isomerase A
Ligand
BDBM50150948
Substrate
n/a
Meas. Tech.
ChEMBL_302449 (CHEMBL827145)
Ki
18±n/a nM
Citation
 Wei, L; Steiner, JP; Hamilton, GS; Wu, YQ Synthesis and neurotrophic activity of nonimmunosuppressant cyclosporin A derivatives. Bioorg Med Chem Lett 14:4549-51 (2004) [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:
BDBM50150948
Synonyms:
12-Ethyl-3-(1-hydroxy-ethyl)-15-(1-hydroxy-2-methyl-hex-4-enyl)-6,21,24,33-tetraisobutyl-18-isopropyl-1,3,7,10,16,19,22,25,27,30-decamethyl-1,4,7,10,13,16,19,22,25,28,31undecaaza-cyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone | CHEMBL413867
Type:
Small organic molecule
Emp. Form.:
C62H111N11O13
Mol. Mass.:
1218.6106
SMILES:
CC[C@@H]1NC(=O)[C@H](C(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@](C)(NC(=O)[C@@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)O
Structure:
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