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Target
Protein phosphatase 3 catalytic subunit alpha
Ligand
BDBM50123744
Substrate
n/a
Meas. Tech.
ChEMBL_42588 (CHEMBL653182)
IC50
636±n/a nM
Citation
 Lazarova, T; Chen, JS; Hamann, B; Kang, JM; Homuth-Trombino, D; Han, F; Hoffmann, E; McClure, C; Eckstein, J; Or, YS Synthesis and biological evaluation of novel cyclosporin a analogues: potential soft drugs for the treatment of autoimmune diseases. J Med Chem 46:674-6 (2003) [PubMed]  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:
BDBM50123744
Synonyms:
6-(5-Ethyl-11,17,26,29-tetraisobutyl-14,32-diisopropyl-1,7,10,16,20,23,25,28,31-nonamethyl-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-1,4,7,10,13,16,19,22,25,28,31undecaaza-cyclotritriacont-2-yl)-6-hydroxy-5-methyl-hex-2-enoic acid 2-fluoro-ethyl ester | CHEMBL413883
Type:
Small organic molecule
Emp. Form.:
C64H112FN11O14
Mol. Mass.:
1278.6378
SMILES:
CC[C@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C(=O)OCCF)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](C)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
Structure:
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