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Target
Solute carrier family 22 member 2
Ligand
BDBM50130293
Substrate
n/a
Meas. Tech.
ChEMBL_934317 (CHEMBL2320303)
IC50
239000±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:
Solute carrier family 22 member 2
Synonyms:
OCT2 | Organic cation transporter 2 | S22A2_HUMAN | SLC22A2 | hOCT2
Type:
PROTEIN
Mol. Mass.:
62591.01
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1484077
Residue:
555
Sequence:
MPTTVDDVLEHGGEFHFFQKQMFFLLALLSATFAPIYVGIVFLGFTPDHRCRSPGVAELSLRCGWSPAEELNYTVPGPGPAGEASPRQCRRYEVDWNQSTFDCVDPLASLDTNRSRLPLGPCRDGWVYETPGSSIVTEFNLVCANSWMLDLFQSSVNVGFFIGSMSIGYIADRFGRKLCLLTTVLINAAAGVLMAISPTYTWMLIFRLIQGLVSKAGWLIGYILITEFVGRRYRRTVGIFYQVAYTVGLLVLAGVAYALPHWRWLQFTVSLPNFFFLLYYWCIPESPRWLISQNKNAEAMRIIKHIAKKNGKSLPASLQRLRLEEETGKKLNPSFLDLVRTPQIRKHTMILMYNWFTSSVLYQGLIMHMGLAGDNIYLDFFYSALVEFPAAFMIILTIDRIGRRYPWAASNMVAGAACLASVFIPGDLQWLKIIISCLGRMGITMAYEIVCLVNAELYPTFIRNLGVHICSSMCDIGGIITPFLVYRLTNIWLELPLMVFGVLGLVAGGLVLLLPETKGKALPETIEEAENMQRPRKNKEKMIYLQVQKLDIPLN
  
Inhibitor
Name:
BDBM50130293
Synonyms:
7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}-3,4-dihydroquinolin-2(1H)-one | ARIPIPRAZOLE | CHEMBL1112 | US10174011, aripiprazole | US10752588, Compound Aripiprazole | US11498896, Compound Aripiprazole | US9018213, aripprazole | US9156822, Aripiprazole
Type:
Small organic molecule
Emp. Form.:
C23H27Cl2N3O2
Mol. Mass.:
448.385
SMILES:
Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Structure:
Search PDB for entries with ligand similarity: