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Target
Peptidyl-prolyl cis-trans isomerase FKBP1A
Ligand
BDBM50064374
Substrate
n/a
Meas. Tech.
ChEMBL_66271 (CHEMBL678141)
IC50
2.9±n/a nM
Citation
 Wagner, R; Rhoades, TA; Or, YS; Lane, BC; Hsieh, G; Mollison, KW; Luly, JR 32-Ascomycinyloxyacetic acid derived immunosuppressants. Independence of immunophilin binding and immunosuppressive potency. J Med Chem 41:1764-76 (1998) [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:
BDBM50064374
Synonyms:
2-{4-[2-(17-Ethyl-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-2,3,10,16-tetraoxo-11,28-dioxa-4-aza-tricyclo[22.3.1.0*4,9*]octacos-18-en-12-yl)-propenyl]-2-methoxy-cyclohexyloxy}-N-methyl-N-phenyl-acetamide | CHEMBL299136
Type:
Small organic molecule
Emp. Form.:
C52H78N2O13
Mol. Mass.:
939.1813
SMILES:
CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\C1CC[C@@H](OCC(=O)N(C)c2ccccc2)[C@@H](C1)OC |c:3|
Structure:
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