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Target
Multidrug and toxin extrusion protein 2
Ligand
BDBM50000483
Substrate
n/a
Meas. Tech.
ChEMBL_934318 (CHEMBL2320304)
IC50
311000±n/a nM
Citation
 Wittwer, MB; Zur, AA; Khuri, N; Kido, Y; Kosaka, A; Zhang, X; Morrissey, KM; Sali, A; Huang, Y; Giacomini, KM Discovery of potent, selective multidrug and toxin extrusion transporter 1 (MATE1, SLC47A1) inhibitors through prescription drug profiling and computational modeling. J Med Chem 56:781-95 (2013) [PubMed]  Article 
Target
Name:
Multidrug and toxin extrusion protein 2
Synonyms:
Kidney-specific H(+)/organic cation antiporter | MATE-2 | MATE2 | S47A2_HUMAN | SLC47A2 | Solute carrier family 47 member 2 | hMATE-2
Type:
PROTEIN
Mol. Mass.:
65098.38
Organism:
Homo sapiens (Human)
Description:
ChEMBL_934314
Residue:
602
Sequence:
MDSLQDTVALDHGGCCPALSRLVPRGFGTEMWTLFALSGPLFLFQVLTFMIYIVSTVFCGHLGKVELASVTLAVAFVNVCGVSVGVGLSSACDTLMSQSFGSPNKKHVGVILQRGALVLLLCCLPCWALFLNTQHILLLFRQDPDVSRLTQDYVMIFIPGLPVIFLYNLLAKYLQNQGWLKGQEEESPFQTPGLSILHPSHSHLSRASFHLFQKITWPQVLSGVVGNCVNGVANYALVSVLNLGVRGSAYANIISQFAQTVFLLLYIVLKKLHLETWAGWSSQCLQDWGPFFSLAVPSMLMICVEWWAYEIGSFLMGLLSVVDLSAQAVIYEVATVTYMIPLGLSIGVCVRVGMALGAADTVQAKRSAVSGVLSIVGISLVLGTLISILKNQLGHIFTNDEDVIALVSQVLPVYSVFHVFEAICCVYGGVLRGTGKQAFGAAVNAITYYIIGLPLGILLTFVVRMRIMGLWLGMLACVFLATAAFVAYTARLDWKLAAEEAKKHSGRQQQQRAESTATRPGPEKAVLSSVATGSSPGITLTTYSRSECHVDFFRTPEEAHALSAPTSRLSVKQLVIRRGAALGAASATLMVGLTVRILATRH
  
Inhibitor
Name:
BDBM50000483
Synonyms:
(BRL 43694)1-Methyl-1H-indazole-3-carboxylic acid (9-methyl-9-aza-bicyclo[3.3.1]non-3-yl)-amide | (granisetron)1-Methyl-1H-indazole-3-carboxylic acid (8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-amide | 1-Methyl-1H-indazole-3-carboxylic acid (8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-amide | 1-Methyl-1H-indazole-3-carboxylic acid (9-methyl-9-aza-bicyclo[3.3.1]non-3-yl)-amide | 1-Methyl-1H-indazole-3-carboxylic acid (9-methyl-9-aza-bicyclo[3.3.1]non-3-yl)-amide(BRL 43694) | 1-Methyl-1H-indazole-3-carboxylic acid (9-methyl-9-aza-bicyclo[3.3.1]non-3-yl)-amide(Granisetron) | 1-methyl-N-((1S,5R)-9-methyl-9-aza-bicyclo[3.3.1]nonan-3-yl)-1H-indazole-3-carboxamide | 2-(9-Methyl-3,9-diaza-bicyclo[3.3.1]non-3-yl)-1-(1-methyl-1H-indol-3-yl)-ethanone(Granisetron) | BRL 43694 | BRL-43694 | CHEMBL519643 | GRANISETRON | LY-278584
Type:
Small organic molecule
Emp. Form.:
C18H24N4O
Mol. Mass.:
312.4094
SMILES:
CN1C2CCCC1CC(C2)NC(=O)c1nn(C)c2ccccc12 |THB:10:8:1:3.5.4|
Structure:
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