Target
Multidrug and toxin extrusion protein 2
Ligand
BDBM50424713
Substrate
n/a
Meas. Tech.
ChEMBL_934318 (CHEMBL2320304)
IC50
25200±n/a nM
Citation
 Wittwer, MBZur, AAKhuri, NKido, YKosaka, AZhang, XMorrissey, KMSali, AHuang, YGiacomini, 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 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:
BDBM50424713
Synonyms:
Musculax | Norcuron | ORG NC 45 | ORG-NC 45 | VECURONIUM BROMIDE
Type:
Small organic molecule
Emp. Form.:
C34H57N2O4
Mol. Mass.:
557.8268
SMILES:
CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)N1CCCCC1)[N+]1(C)CCCCC1 |r|
Structure:
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