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Target
Solute carrier family 22 member 1
Ligand
BDBM50241342
Substrate
n/a
Meas. Tech.
ChEMBL_934316 (CHEMBL2320302)
IC50
>500000±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 1
Synonyms:
Adrenergic Alpha | OCT1 | Organic cation transporter 1 | S22A1_HUMAN | SLC22A1 | Solute carrier family 22 member 1 | hOCT1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
61154.85
Organism:
Homo sapiens (Human)
Description:
Adrenergic Alpha 0 HUMAN::O15245
Residue:
554
Sequence:
MPTVDDILEQVGESGWFQKQAFLILCLLSAAFAPICVGIVFLGFTPDHHCQSPGVAELSQRCGWSPAEELNYTVPGLGPAGEAFLGQCRRYEVDWNQSALSCVDPLASLATNRSHLPLGPCQDGWVYDTPGSSIVTEFNLVCADSWKLDLFQSCLNAGFLFGSLGVGYFADRFGRKLCLLGTVLVNAVSGVLMAFSPNYMSMLLFRLLQGLVSKGNWMAGYTLITEFVGSGSRRTVAIMYQMAFTVGLVALTGLAYALPHWRWLQLAVSLPTFLFLLYYWCVPESPRWLLSQKRNTEAIKIMDHIAQKNGKLPPADLKMLSLEEDVTEKLSPSFADLFRTPRLRKRTFILMYLWFTDSVLYQGLILHMGATSGNLYLDFLYSALVEIPGAFIALITIDRVGRIYPMAMSNLLAGAACLVMIFISPDLHWLNIIIMCVGRMGITIAIQMICLVNAELYPTFVRNLGVMVCSSLCDIGGIITPFIVFRLREVWQALPLILFAVLGLLAAGVTLLLPETKGVALPETMKDAENLGRKAKPKENTIYLKVQTSEPSGT
  
Inhibitor
Name:
BDBM50241342
Synonyms:
5-(difluoromethoxy)-2-((3,4-dimethoxypyridin-2-yl)methylsulfinyl)-1H-benzo[d]imidazole | 5-Difluoromethoxy-2-(3,4-dimethoxy-pyridin-2-ylmethanesulfinyl)-1H-benzoimidazole | 6-(difluoromethoxy)-2-((3,4-dimethoxypyridin-2-yl)methylsulfinyl)-1H-benzo[d]imidazole | BY-1023 | CHEMBL1502 | PANTOPRAZOLE | Protonix | SK&F-96022 | SK-96022
Type:
Small organic molecule
Emp. Form.:
C16H15F2N3O4S
Mol. Mass.:
383.37
SMILES:
COc1ccnc(CS(=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1OC
Structure:
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