Reaction Details Report a problem with these data
Target
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4
Ligand
BDBM50095936
Substrate
n/a
Meas. Tech.
ChEMBL_1502606 (CHEMBL3592746)
IC50
34000±n/a nM
Citation
 Jiang, B; Pei, D A Selective, Cell-Permeable Nonphosphorylated Bicyclic Peptidyl Inhibitor against Peptidyl-Prolyl Isomerase Pin1. J Med Chem 58:6306-12 (2015) [PubMed]  Article 
Target
Name:
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4
Synonyms:
PIN4 | PIN4_HUMAN | PPIase Pin4 | Par14 | Parvulin 14 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 2 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4 | Peptidyl-prolyl cis/trans isomerase EPVH | Rotamase Pin4 | hPar14
Type:
PROTEIN
Mol. Mass.:
13820.38
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1502606
Residue:
131
Sequence:
MPPKGKSGSGKAGKGGAASGSDSADKKAQGPKGGGNAVKVRHILCEKHGKIMEAMEKLKSGMRFNEVAAQYSEDKARQGGDLGWMTRGSMVGPFQEAAFALPVSGMDKPVFTDPPVKTKFGYHIIMVEGRK
  
Inhibitor
Name:
BDBM50095936
Synonyms:
CHEMBL3590367
Type:
Small organic molecule
Emp. Form.:
C120H159F2N35O22
Mol. Mass.:
2481.7646
SMILES:
[H][C@]12CCCCN1C(=O)[C@]([H])(NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cc3cc(c1)C(=O)NC[C@]([H])(NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc4ccccc4c1)NC2=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CNC3=O)C(=O)N[C@@H](CCCCN)C(O)=O)[C@H](C)O
Structure:
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