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Target
Solute carrier family 22 member 1
Ligand
BDBM36880
Substrate
n/a
Meas. Tech.
ChEMBL_934316 (CHEMBL2320302)
IC50
3900±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:
BDBM36880
Synonyms:
2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenol | 2,4-dichloro-6-[(3,5-dichloro-2-hydroxy-phenyl)thio]phenol | 2,4-dichloro-6-[(3,5-dichloro-2-hydroxyphenyl)thio]phenol | 2-[3,5-bis(chloranyl)-2-oxidanyl-phenyl]sulfanyl-4,6-bis(chloranyl)phenol | Bithionol | HL-3 | MLS000028403 | SMR000058374 | cid_2406
Type:
Small organic molecule
Emp. Form.:
C12H6Cl4O2S
Mol. Mass.:
356.052
SMILES:
Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O
Structure:
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