Reaction Details Report a problem with these data
Target
Multidrug and toxin extrusion protein 2
Ligand
BDBM50128267
Substrate
n/a
Meas. Tech.
ChEMBL_934314 (CHEMBL2320300)
IC50
7900±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 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:
BDBM50128267
Synonyms:
(4S)-4,11-DIETHYL-4-HYDROXY-3,14-DIOXO-3,4,12,14-TETRAHYDRO-1H-PYRANO[3',4':6,7]INDOLIZINO[1,2-B]QUINOLIN-9-YL 1,4'-BIPIPERIDINE-1'-CARBOXYLATE | CHEMBL481 | Camptosar | IRINOTECAN | [1,4']Bipiperidinyl-1'-carboxylic acid 4,11-diethyl-4-hydroxy-3,13-dioxo-3,4,12,13-tetrahydro-1H-2-oxa-6,12a-diaza-dibenzo[b,h]fluoren-9-yl ester | [1,4']bipiperidinyl-1'-carboxylic acid (S)-4,11-diethyl-4-hydroxy-3,13-dioxo-3,4,12,13-tetrahydro-1H-2-oxa-6,12a-diaza-dibenzo[b,h]fluoren-9-yl ester
Type:
Small organic molecule
Emp. Form.:
C33H38N4O6
Mol. Mass.:
586.678
SMILES:
CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12 |r|
Structure:
Search PDB for entries with ligand similarity: