Reaction Details Report a problem with these data
Target
Multidrug and toxin extrusion protein 1
Ligand
BDBM50588370
Substrate
n/a
Meas. Tech.
ChEMBL_2187009 (CHEMBL5099091)
IC50
2000±n/a nM
Citation
 Shinya, S; Kawai, K; Kobayashi, N; Karuo, Y; Tarui, A; Sato, K; Otsuka, M; Omote, M Fluorophenylalkyl-substituted cyanoguanidine derivatives as bacteria-selective MATE transporter inhibitors for the treatment of antibiotic-resistant infections. Bioorg Med Chem 74:0 (2022) [PubMed] 
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:
BDBM50588370
Synonyms:
CHEMBL5194558
Type:
Small organic molecule
Emp. Form.:
C11H15N5S
Mol. Mass.:
249.335
SMILES:
Cc1[nH]cnc1CSCCNc1ncccn1
Structure:
Search PDB for entries with ligand similarity: