Structure of PDB 9b1g Chain A Binding Site BS01

Receptor Information
>9b1g Chain A (length=515) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FSELLDLVGGLGRFQVLQTMALMVSIMWLCTQSMLENFSAAVPSHRCWAP
LLDNSTAVSTSLSPEALLAISIPPGPNQRPHQCRRFRQPQWQLLDPNATA
TSWSEADTEPCVDGWVYDRSIFTSTIVAKWNLVCDSHALKPMAQSIYLAG
ILVGAAACGPASDRFGRRLVLTWSYLQMAVMGTAAAFAPAFPVYCLFRFL
LAFAVAGVMMNTGTLLMEWTAARARPLVMTLNSLGFSFGHGLTAAVAYGV
RDWTLLQLVVSVPFFLCFLYSWWLPESARWLIIKGKPDQALQELRKVARI
NGHKEAKNLTIEVLMSSVKEEVASAKEPRSVLDLFCVPGLRFRTCISTLC
WFAFGFTFFGLALDLQALGSNIFLLQMFIGVVDIPAKMGALLLLSHLGRR
PTLAASLLLAGLCILANTLVPHEMGALRSALAVLGLGGVGAAFTCITIYS
SELFPTVLRMTAVGLGQMAARGGAILGPLVRLLGVHGPWLPLLVYGTVPV
LSGLAALLLPETQSL
Ligand information
Ligand IDA1AIK
InChIInChI=1S/C14H9Cl2NO4S/c15-9-5-8(6-10(16)13(9)18)14(19)17-7-22(20,21)12-4-2-1-3-11(12)17/h1-6,18H,7H2
InChIKeyVOFLAIHEELWYGO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Oc1c(Cl)cc(cc1Cl)C(=O)N2C[S](=O)(=O)c3ccccc23
ACDLabs 12.01Clc1cc(cc(Cl)c1O)C(=O)N1CS(=O)(=O)c2ccccc21
OpenEye OEToolkits 2.0.7c1ccc2c(c1)N(CS2(=O)=O)C(=O)c3cc(c(c(c3)Cl)O)Cl
FormulaC14 H9 Cl2 N O4 S
Namedotinurad;
3-(3,5-dichloro-4-hydroxybenzoyl)-2,3-dihydro-1H-1lambda~6~,3-benzothiazole-1,1-dione
ChEMBL
DrugBank
ZINC
PDB chain9b1g Chain A Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB9b1g Transport mechanism and structural pharmacology of human urate transporter URAT1.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		C32 M211 F238 H242 F356 F360 F445
Binding residue
(residue number reindexed from 1)		C30 M209 F236 H240 F354 F358 F443
Annotation score1
External links
PDB RCSB:9b1g, PDBe:9b1g, PDBj:9b1g
PDBsum9b1g
PubMed39245778
UniProtQ96S37|S22AC_HUMAN Solute carrier family 22 member 12 (Gene Name=SLC22A12)

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