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Target
Peptidyl-prolyl cis-trans isomerase FKBP1A
Ligand
BDBM50068552
Substrate
n/a
Meas. Tech.
ChEMBL_66273 (CHEMBL678143)
Ki
116±n/a nM
Citation
 Hamilton, GS; Steiner, JP Immunophilins: beyond immunosuppression. J Med Chem 41:5119-43 (1999) [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:
BDBM50068552
Synonyms:
1-(Adamantan-2-ylthiocarbamoyl)-pyrrolidine-2-carboxylic acid 3-pyridin-3-yl-propyl ester | CHEMBL149669
Type:
Small organic molecule
Emp. Form.:
C24H33N3O2S
Mol. Mass.:
427.603
SMILES:
O=C(OCCCc1cccnc1)C1CCCN1C(=S)NC1C2CC3CC(C2)CC1C3 |TLB:29:28:26:23.22.24,THB:24:23:20:25.26.27,24:25:20:23.22.29,19:20:26:23.22.24,29:23:26:20.28.27,(9.21,-4.9,;8.89,-3.39,;10.04,-2.38,;11.51,-2.87,;12.65,-1.84,;14.12,-2.33,;15.26,-1.31,;16.73,-1.8,;17.87,-.78,;17.57,.74,;16.1,1.21,;14.96,.2,;7.45,-2.92,;6.84,-1.35,;5.18,-1.43,;4.74,-3.06,;6.14,-3.96,;6.23,-5.64,;7.56,-6.42,;4.91,-6.4,;4.9,-7.94,;3.55,-8.68,;3.55,-10.22,;4.87,-11.01,;3.1,-11.32,;3.11,-9.78,;2.01,-8.68,;4.44,-9,;6.23,-8.71,;6.21,-10.25,)|
Structure:
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