Reaction Details Report a problem with these data
Target
Solute carrier family 22 member 12
Ligand
BDBM50612472
Substrate
n/a
Meas. Tech.
ChEMBL_2288277
IC50
7.6±n/a nM
Citation
 Zhang, J; Dong, Y; Gao, S; Zhang, X; Liao, H; Shi, X; Zhang, Z; Zhao, T; Liang, R; Qi, D; Wu, T; Pang, J; Liu, X; Zhan, P Design, synthesis and activity evaluation of novel lesinurad analogues containing thienopyrimidinone or pyridine substructure as human urate transporter 1 inhibitors. Eur J Med Chem 244:0 (2022) [PubMed] 
Target
Name:
Solute carrier family 22 member 12
Synonyms:
OATL4 | Organic anion transporter 4-like protein | RST | Renal-specific transporter | S22AC_HUMAN | SLC22A12 | Solute carrier family 22 member 12 | Solute carrier family 22 member 12 (URAT1) | URAT1 | Urate anion exchanger 1 | Urate anion exchanger 1 (URAT1) | Uric Acid Transporter 1 (URAT1)
Type:
Enzyme
Mol. Mass.:
59638.65
Organism:
Homo sapiens (Human)
Description:
Q96S37
Residue:
553
Sequence:
MAFSELLDLVGGLGRFQVLQTMALMVSIMWLCTQSMLENFSAAVPSHRCWAPLLDNSTAQASILGSLSPEALLAISIPPGPNQRPHQCRRFRQPQWQLLDPNATATSWSEADTEPCVDGWVYDRSIFTSTIVAKWNLVCDSHALKPMAQSIYLAGILVGAAACGPASDRFGRRLVLTWSYLQMAVMGTAAAFAPAFPVYCLFRFLLAFAVAGVMMNTGTLLMEWTAARARPLVMTLNSLGFSFGHGLTAAVAYGVRDWTLLQLVVSVPFFLCFLYSWWLAESARWLLTTGRLDWGLQELWRVAAINGKGAVQDTLTPEVLLSAMREELSMGQPPASLGTLLRMPGLRFRTCISTLCWFAFGFTFFGLALDLQALGSNIFLLQMFIGVVDIPAKMGALLLLSHLGRRPTLAASLLLAGLCILANTLVPHEMGALRSALAVLGLGGVGAAFTCITIYSSELFPTVLRMTAVGLGQMAARGGAILGPLVRLLGVHGPWLPLLVYGTVPVLSGLAALLLPETQSLPLPDTIQDVQNQAVKKATHGTLGNSVLKSTQF
  
Inhibitor
Name:
BDBM50612472
Synonyms:
CHEMBL5284974
Type:
Small organic molecule
Emp. Form.:
C27H20BrN3O4S3
Mol. Mass.:
626.564
SMILES:
Brc1ccc(cc1)S(=O)(=O)NC(=O)CSc1nc2sccc2c(=O)n1-c1ccc(C2CC2)c2ccccc12 |(6.88,6.41,;6.11,5.07,;4.57,5.07,;3.8,3.75,;4.56,2.41,;6.11,2.41,;6.87,3.75,;3.79,1.08,;5.12,.31,;3.02,-.25,;2.46,1.85,;1.12,1.08,;1.12,-.46,;-.21,1.85,;-1.54,1.08,;-2.88,1.86,;-2.87,3.4,;-4.21,4.17,;-4.52,5.67,;-6.06,5.84,;-6.68,4.43,;-5.54,3.4,;-5.54,1.86,;-6.88,1.09,;-4.21,1.09,;-4.21,-.45,;-5.55,-1.22,;-5.55,-2.76,;-4.22,-3.53,;-4.22,-5.07,;-3.45,-6.41,;-4.99,-6.4,;-2.88,-2.76,;-1.55,-3.54,;-.21,-2.77,;-.21,-1.23,;-1.54,-.46,;-2.88,-1.22,)|
Structure:
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