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Target
Multidrug and toxin extrusion protein 1
Ligand
BDBM50241342
Substrate
n/a
Meas. Tech.
ChEMBL_934312 (CHEMBL2320298)
IC50
2800±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:
BDBM50241342
Synonyms:
5-(difluoromethoxy)-2-((3,4-dimethoxypyridin-2-yl)methylsulfinyl)-1H-benzo[d]imidazole | 5-Difluoromethoxy-2-(3,4-dimethoxy-pyridin-2-ylmethanesulfinyl)-1H-benzoimidazole | 6-(difluoromethoxy)-2-((3,4-dimethoxypyridin-2-yl)methylsulfinyl)-1H-benzo[d]imidazole | BY-1023 | CHEMBL1502 | PANTOPRAZOLE | Protonix | SK&F-96022 | SK-96022
Type:
Small organic molecule
Emp. Form.:
C16H15F2N3O4S
Mol. Mass.:
383.37
SMILES:
COc1ccnc(CS(=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1OC
Structure:
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