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Target
Peptidyl-prolyl cis-trans isomerase B
Ligand
BDBM50546259
Substrate
n/a
Meas. Tech.
ChEMBL_2015050 (CHEMBL4668628)
IC50
80±n/a nM
Citation
 Bancet, A; Raingeval, C; Lomberget, T; Le Borgne, M; Guichou, JF; Krimm, I Fragment Linking Strategies for Structure-Based Drug Design. J Med Chem 63:11420-11435 (2020) [PubMed]  Article 
Target
Name:
Peptidyl-prolyl cis-trans isomerase B
Synonyms:
CYP-S1 | CYPB | Cyclophilin B | Cyclophilin B (CypB) | PPIB | PPIB_HUMAN | PPIase | Peptidyl-prolyl cis-trans isomerase B | Rotamase | S-cyclophilin | SCYLP
Type:
Protein
Mol. Mass.:
23751.82
Organism:
Homo sapiens (Human)
Description:
P23284
Residue:
216
Sequence:
MLRLSERNMKVLLAAALIAGSVFFLLLPGPSAADEKKKGPKVTVKVYFDLRIGDEDVGRVIFGLFGKTVPKTVDNFVALATGEKGFGYKNSKFHRVIKDFMIQGGDFTRGDGTGGKSIYGERFPDENFKLKHYGPGWVSMANAGKDTNGSQFFITTVKTAWLDGKHVVFGKVLEGMEVVRKVESTKTDSRDKPLKDVIIADCGKIEVEKPFAIAKE
  
Inhibitor
Name:
BDBM50546259
Synonyms:
CHEMBL4092230
Type:
Small organic molecule
Emp. Form.:
C27H30N4O2S
Mol. Mass.:
474.618
SMILES:
CSc1ccccc1C1CCCN1C(=O)C(NC(=O)NCc1ccc(N)cc1)c1ccccc1
Structure:
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