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Target
Protein phosphatase 3 catalytic subunit alpha
Ligand
BDBM50131547
Substrate
n/a
Meas. Tech.
ChEMBL_42593 (CHEMBL655822)
Ki
>3000±n/a nM
Citation
 Liu, G; Xin, Z; Liang, H; Abad-Zapatero, C; Hajduk, PJ; Janowick, DA; Szczepankiewicz, BG; Pei, Z; Hutchins, CW; Ballaron, SJ; Stashko, MA; Lubben, TH; Berg, CE; Rondinone, CM; Trevillyan, JM; Jirousek, MR Selective protein tyrosine phosphatase 1B inhibitors: targeting the second phosphotyrosine binding site with non-carboxylic acid-containing ligands. J Med Chem 46:3437-40 (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:
BDBM50131547
Synonyms:
2-(N-(4-(2-acetamido-3-(4-(5-chloro-3-hydroxy-2-(methoxycarbonyl)phenoxy)butylamino)-3-oxopropyl)-2-ethylphenyl)-1-carboxyformamido)benzoic acid | 2-[4-(2-Acetylamino-3-{4-[(2-carboxy-phenyl)-oxalyl-amino]-3-ethyl-phenyl}-propionylamino)-butoxy]-4-chloro-6-hydroxy-benzoic acid methyl ester | CHEMBL117496
Type:
Small organic molecule
Emp. Form.:
C34H36ClN3O11
Mol. Mass.:
698.116
SMILES:
CCc1cc(CC(NC(C)=O)C(=O)NCCCCOc2cc(Cl)cc(O)c2C(=O)OC)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O
Structure:
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