Reaction Details Report a problem with these data
Target
Peptidyl-prolyl cis-trans isomerase FKBP1A
Ligand
BDBM50116632
Substrate
n/a
Meas. Tech.
ChEMBL_66275 (CHEMBL678145)
Ki
6±n/a nM
Citation
 Hamilton, GS; Wu, YQ; Limburg, DC; Wilkinson, DE; Vaal, MJ; Li, JH; Thomas, C; Huang, W; Sauer, H; Ross, DT; Soni, R; Chen, Y; Guo, H; Howorth, P; Valentine, H; Liang, S; Spicer, D; Fuller, M; Steiner, JP Synthesis of N-glyoxyl prolyl and pipecolyl amides and thioesters and evaluation of their in vitro and in vivo nerve regenerative effects. J Med Chem 45:3549-57 (2002) [PubMed]  Article 
Target
Name:
Peptidyl-prolyl cis-trans isomerase FKBP1A
Synonyms:
12 kDa FK506-binding protein | 12 kDa FKBP | FK506-binding protein 1A | FK506-binding protein 1A (FKBP12) | FKB1A_HUMAN | FKBP-12 | FKBP-1A | FKBP1 | FKBP12 | FKBP1A | Immunophilin FKBP12 | PPIase | PPIase FKBP1A | Peptidyl-prolyl cis-trans isomerase (FKBP) | Rotamase | RyR1/FKBP12 | mTOR/FKBP12A/FKBP12B
Type:
Isomerase
Mol. Mass.:
11953.09
Organism:
Homo sapiens (Human)
Description:
P62942
Residue:
108
Sequence:
MGVQVETISPGDGRTFPKRGQTCVVHYTGMLEDGKKFDSSRDRNKPFKFMLGKQEVIRGWEEGVAQMSVGQRAKLTISPDYAYGATGHPGIIPPHATLVFDVELLKLE
  
Inhibitor
Name:
BDBM50116632
Synonyms:
1-(3,3-Dimethyl-2-oxo-pentanoyl)-pyrrolidine-2-carbothioic acid S-(3-naphthalen-2-yl-propyl) ester | CHEMBL118937
Type:
Small organic molecule
Emp. Form.:
C25H31NO3S
Mol. Mass.:
425.584
SMILES:
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCCc1ccc2ccccc2c1
Structure:
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