Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetProtein phosphatase 3 catalytic subunit alpha
LigandBDBM50323714
Substrate/Competitorn/a
Meas. Tech.ChEMBL_647718 (CHEMBL1220315)
IC50 89±n/a nM
Citation Zhang, YErdmann, FFischer, G Augmented photoswitching modulates immune signaling. Nat Chem Biol5:724-6 (2009) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Protein phosphatase 3 catalytic subunit alpha
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:
MSEPKAIDPKLSTTDRVVKAVPFPPSHRLTAKEVFDNDGKPRVDILKAHLMKEGRLEESV
ALRIITEGASILRQEKNLLDIDAPVTVCGDIHGQFFDLMKLFEVGGSPANTRYLFLGDYV
DRGYFSIECVLYLWALKILYPKTLFLLRGNHECRHLTEYFTFKQECKIKYSERVYDACMD
AFDCLPLAALMNQQFLCVHGGLSPEINTLDDIRKLDRFKEPPAYGPMCDILWSDPLEDFG
NEKTQEHFTHNTVRGCSYFYSYPAVCEFLQHNNLLSILRAHEAQDAGYRMYRKSQTTGFP
SLITIFSAPNYLDVYNNKAAVLKYENNVMNIRQFNCSPHPYWLPNFMDVFTWSLPFVGEK
VTEMLVNVLNICSDDELGSEEDGFDGATAAARKEVIRNKIRAIGKMARVFSVLREESESV
LTLKGLTPTGMLPSGVLSGGKQTLQSATVEAIEADEAIKGFSPQHKITSFEEAKGLDRIN
ERMPPRRDAMPSDANLNSINKALTSETNGTDSNGSNSSNIQ
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50323714
n/a
NameBDBM50323714
Synonyms:CHEMBL1213206 | CHEMBL1213210 | N-(4-((Z)-(4-(2-(((2R,5S,8S,11S,14S,17S,23S,26S,29S,32S)-17-ethyl-14-((1R,2R,E)-1-hydroxy-2-methylhex-4-enyl)-5,8,23,29-tetraisobutyl-11,26-diisopropyl-4,7,10,13,19,22,28,32-octamethyl-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2-yl)methoxy)acetamido)phenyl)diazenyl)phenyl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide
TypeSmall organic molecule
Emp. Form.C86H137N17O16S
Mol. Mass.1697.177
SMILESCC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](COCC(=O)Nc2ccc(cc2)N=Nc2ccc(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)cc2)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r,w:59.60|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: