Reaction Details
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Target
Peptidyl-prolyl cis-trans isomerase A
Ligand
BDBM50087866
Substrate
n/a
Meas. Tech.
ChEMBL_154349 (CHEMBL759111)
IC50
2800000±n/a nM
Citation
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More Info.:
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:
BDBM50087866
Synonyms:
1-(2-{2-[2-(2-Acetylamino-3-methyl-butyrylamino)-3-(3H-imidazol-4-yl)-propionylamino]-propionylamino}-acetyl)-pyrrolidine-2-carboxylic acid [(1-carbamoyl-ethylcarbamoyl)-methyl]-amide | CHEMBL433082
Type:
Small organic molecule
Emp. Form.:
C28H44N10O8
Mol. Mass.:
648.7112
SMILES:
CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C)C(N)=O