Reaction Details Report a problem with these data
Target
Protein phosphatase 3 catalytic subunit alpha
Ligand
BDBM50285471
Substrate
n/a
Meas. Tech.
ChEBML_42592
Kd
>1000±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:
BDBM50285471
Synonyms:
(9S,11R,19R,20R,23R)-15-sec-Butyl-9-methoxy-11,14,19-trimethyl-20-(2-pyridin-3-yl-ethyl)-21-oxa-6-thia-1,14-diaza-bicyclo[21.3.1]heptacosane-2,3,13,16,22-pentaone | CHEMBL77154
Type:
Small organic molecule
Emp. Form.:
C38H59N3O7S
Mol. Mass.:
701.956
SMILES:
CCC(C)C1N(C)C(=O)C[C@H](C)C[C@@H](CCSCCC(=O)C(=O)N2CCC[C@H](C2)C(=O)O[C@H](CCc2cccnc2)[C@H](C)CCC1=O)OC
Structure:
Search PDB for entries with ligand similarity: