Reaction Details Report a problem with these data
Target
Protein phosphatase 3 catalytic subunit alpha
Ligand
BDBM50285474
Substrate
n/a
Meas. Tech.
ChEBML_42592
Kd
300±n/a nM
Citation
 Teague, SJ; Cooper, ME; Stocks, MJ Synthesis of FK506-Cyclosporin hybrid macrocycles Bioorg Med Chem Lett 5:2341-2346 (1995)    Article 
Target
Name:
Protein phosphatase 3 catalytic subunit alpha
Synonyms:
CALNA | CNA | PP2BA_HUMAN | PPP3CA | Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform | Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform | calcineurin
Type:
Enzyme Catalytic Domain
Mol. Mass.:
58681.14
Organism:
Homo sapiens (Human)
Description:
calcineurin 0 HUMAN::Q08209
Residue:
521
Sequence:
MSEPKAIDPKLSTTDRVVKAVPFPPSHRLTAKEVFDNDGKPRVDILKAHLMKEGRLEESVALRIITEGASILRQEKNLLDIDAPVTVCGDIHGQFFDLMKLFEVGGSPANTRYLFLGDYVDRGYFSIECVLYLWALKILYPKTLFLLRGNHECRHLTEYFTFKQECKIKYSERVYDACMDAFDCLPLAALMNQQFLCVHGGLSPEINTLDDIRKLDRFKEPPAYGPMCDILWSDPLEDFGNEKTQEHFTHNTVRGCSYFYSYPAVCEFLQHNNLLSILRAHEAQDAGYRMYRKSQTTGFPSLITIFSAPNYLDVYNNKAAVLKYENNVMNIRQFNCSPHPYWLPNFMDVFTWSLPFVGEKVTEMLVNVLNICSDDELGSEEDGFDGATAAARKEVIRNKIRAIGKMARVFSVLREESESVLTLKGLTPTGMLPSGVLSGGKQTLQSATVEAIEADEAIKGFSPQHKITSFEEAKGLDRINERMPPRRDAMPSDANLNSINKALTSETNGTDSNGSNSSNIQ
  
Inhibitor
Name:
BDBM50285474
Synonyms:
(E)-18-Allyl-11,21-dihydroxy-23-[(E)-2-((R)-4-hydroxy-3-methoxy-cyclohexyl)-1-methyl-vinyl]-10,12-dimethoxy-8,14,16,22-tetramethyl-4,24-dioxa-1,6-diaza-tricyclo[24.4.0.0*3,7*]triaconta-3(7),5,16-triene-2,19,25- | CHEMBL407550
Type:
Small organic molecule
Emp. Form.:
C45H70N2O11
Mol. Mass.:
815.0441
SMILES:
CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)c2ocnc2[C@H](C)C[C@H](OC)[C@H](O)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)CC(O)[C@H]1C)OC |t:46|
Structure:
Search PDB for entries with ligand similarity: