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Target
Peptidyl-prolyl cis-trans isomerase FKBP1A
Ligand
BDBM50064355
Substrate
n/a
Meas. Tech.
ChEMBL_66271 (CHEMBL678141)
IC50
2.5±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:
BDBM50064355
Synonyms:
(E)-(1R,9S,12S,13R,14S,17R,21S,23S,25S,27R)-17-Allyl-1,14-dihydroxy-12-[(E)-2-((3R,4R)-4-hydroxy-3-methoxy-cyclohexyl)-1-methyl-vinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-aza-tricyclo[22.3.1.0*4,9*]octacos-18-ene-2,3,10,16-tetraone | CHEMBL405819
Type:
Small organic molecule
Emp. Form.:
C44H69NO12
Mol. Mass.:
804.0182
SMILES:
CO[C@@H]1CC(CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)OC([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC |t:45|
Structure:
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