Reaction Details Report a problem with these data
Target
Multidrug and toxin extrusion protein 2
Ligand
BDBM604837
Substrate
n/a
Meas. Tech.
MATE2-K IC50 Assay
IC50
7800±n/a nM
Citation
 Ammann, SE; Canales, EY; Chang, WK; Kinfe, HH; Lazerwith, SE; Mitchell, ML; Moazami, Y; Schroeder, SD; Shore, DG; Swank, CJ Thienopyrrole compounds US Patent  US11661431 Publication Date 5/30/2023 
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:
BDBM604837
Synonyms:
US11661431, Example 91
Type:
Small organic molecule
Emp. Form.:
C27H34N6OS
Mol. Mass.:
490.663
SMILES:
CC(C)c1c([nH]c2sc([C@H]3C[C@@H]4CC[C@H](C3)N4CC(N)=O)c(C)c12)-c1cn2ncnc2c(C)c1C |r,THB:17:16:9.10.15:12.13|
Structure:
Search PDB for entries with ligand similarity: