Reaction Details Report a problem with these data
Target
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Ligand
BDBM50184823
Substrate
n/a
Meas. Tech.
ChEMBL_342610 (CHEMBL861259)
Ki
4.8±n/a nM
Citation
 Wildemann, D; Erdmann, F; Alvarez, BH; Stoller, G; Zhou, XZ; Fanghänel, J; Schutkowski, M; Lu, KP; Fischer, G Nanomolar inhibitors of the peptidyl prolyl cis/trans isomerase Pin1 from combinatorial peptide libraries. J Med Chem 49:2147-50 (2006) [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:
BDBM50184823
Synonyms:
Ac-Lys(N-epsilon-biotinoyl)-Ala-Ala-Bip-Thr(PO3H2)-Pro-Nal-Gln-NH2 | CHEMBL438271
Type:
Small organic molecule
Emp. Form.:
C66H88N13O16PS
Mol. Mass.:
1382.521
SMILES:
C[C@H](NC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H]([C@H](C)OP(O)(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Structure:
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