Reaction Details Report a problem with these data
Target
Multidrug and toxin extrusion protein 1
Ligand
BDBM50036754
Substrate
n/a
Meas. Tech.
ChEMBL_934320 (CHEMBL2320306)
IC50
760±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:
BDBM50036754
Synonyms:
(1Z)-N'-(aminosulfonyl)-3-[({2-[(diaminomethylene)amino]-1,3-thiazol-4-yl}methyl)thio]propanimidamide | (1Z)-N'-(aminosulfonyl)-3-[({2-[(diaminomethylene)amino]-1,3-thiazol-4-yl}methyl)thio]propanimidamide (Famotidine) | 3-(2-Guanidino-thiazol-4-ylmethylsulfanyl)-N-sulfonylamino-propionamidine | CHEMBL902 | FAMOTIDINE | Fluxid | MK-208 | N'-(aminosulfonyl)-3-(((2-((diaminomethylene)amino)-4-thiazolyl)methyl)thio)propanimidamide | N-sulfomoyl-3-(2-Guanidino-2H-1lambda*4*-thiazol-4-ylmethylsulfanyl)-propionamidine | Pepcid | Pepcid ac | Pepcid ac (geltab) | Pepcid rpd
Type:
Small organic molecule
Emp. Form.:
C8H15N7O2S3
Mol. Mass.:
337.445
SMILES:
[#7]\[#6](-[#7])=[#7]/c1nc(-[#6]-[#16]-[#6]-[#6]-[#6](=[#7])-[#7]S([#7])(=O)=O)cs1
Structure:
Search PDB for entries with ligand similarity: