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Target
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Ligand
BDBM50056203
Substrate
n/a
Meas. Tech.
ChEMBL_1449741 (CHEMBL3378164)
Ki
580±n/a nM
Citation
 Guo, C; Hou, X; Dong, L; Marakovits, J; Greasley, S; Dagostino, E; Ferre, R; Johnson, MC; Humphries, PS; Li, H; Paderes, GD; Piraino, J; Kraynov, E; Murray, BW Structure-based design of novel human Pin1 inhibitors (III): optimizing affinity beyond the phosphate recognition pocket. Bioorg Med Chem Lett 24:4187-91 (2014) [PubMed]  Article 
Target
Name:
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Synonyms:
PIN1 | PIN1_HUMAN | PPIase Pin1 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Type:
PROTEIN
Mol. Mass.:
18248.11
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1502595
Residue:
163
Sequence:
MADEEKLPPGWEKRMSRSSGRVYYFNHITNASQWERPSGNSSSGGKNGQGEPARVRCSHLLVKHSQSRRPSSWRQEKITRTKEEALELINGYIQKIKSGEEDFESLASQFSDCSSAKARGDLGAFSRGQMQKPFEDASFALRTGEMSGPVFTDSGIHIILRTE
  
Inhibitor
Name:
BDBM50056203
Synonyms:
CHEMBL3322296
Type:
Small organic molecule
Emp. Form.:
C21H15Cl2FN2O2S
Mol. Mass.:
449.325
SMILES:
OC(=O)C1(Cc2cc3ccc(F)cc3[nH]2)CSC(\C=C\c2c(Cl)cccc2Cl)=N1 |c:30|
Structure:
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