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Target
Multidrug and toxin extrusion protein 1
Ligand
BDBM50005835
Substrate
n/a
Meas. Tech.
ChEMBL_934320 (CHEMBL2320306)
IC50
6700±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 1
Synonyms:
MATE-1 | MATE1 | S47A1_HUMAN | SLC47A1 | Solute carrier family 47 member 1 | hMATE-1
Type:
PROTEIN
Mol. Mass.:
61928.01
Organism:
Homo sapiens (Human)
Description:
ChEMBL_934313
Residue:
570
Sequence:
MEAPEEPAPVRGGPEATLEVRGSRCLRLSAFREELRALLVLAGPAFLVQLMVFLISFISSVFCGHLGKLELDAVTLAIAVINVTGVSVGFGLSSACDTLISQTYGSQNLKHVGVILQRSALVLLLCCFPCWALFLNTQHILLLFRQDPDVSRLTQTYVTIFIPALPATFLYMLQVKYLLNQGIVLPQIVTGVAANLVNALANYLFLHQLHLGVIGSALANLISQYTLALLLFLYILGKKLHQATWGGWSLECLQDWASFLRLAIPSMLMLCMEWWAYEVGSFLSGILGMVELGAQSIVYELAIIVYMVPAGFSVAASVRVGNALGAGDMEQARKSSTVSLLITVLFAVAFSVLLLSCKDHVGYIFTTDRDIINLVAQVVPIYAVSHLFEALACTSGGVLRGSGNQKVGAIVNTIGYYVVGLPIGIALMFATTLGVMGLWSGIIICTVFQAVCFLGFIIQLNWKKACQQAQVHANLKVNNVPRSGNSALPQDPLHPGCPENLEGILTNDVGKTGEPQSDQQMRQEEPLPEHPQDGAKLSRKQLVLRRGLLLLGVFLILLVGILVRFYVRIQ
  
Inhibitor
Name:
BDBM50005835
Synonyms:
(3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methylmethanesulfonamide | 1-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide | 1-{3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}-N-methylmethanesulfonamide | 3-(2-(dimethylamino)ethyl)-N-methyl-1H-indole-5-methanesulfonamide | 3-[2-(dimethylamino)ethyl]-N-methylindole-5-methanesulfonamide | CHEMBL128 | SUMATRIPTAN | Sumatran | Sumax
Type:
Small organic molecule
Emp. Form.:
C14H21N3O2S
Mol. Mass.:
295.4
SMILES:
CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
Structure:
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