SEQ2FUN

BioLiP

PDB CCD ID: MUA
Number of entries in BioLiP: 13
Chemical formula: C6 H6 N4 O3
InChI: InChI=1S/C6H6N4O3/c1-10-3-2(7-6(10)13)4(11)9-5(12)8-3/h1H3,(H,7,13)(H2,8,9,11,12)
InChIKey: XJEJWDFDVPDMAS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CN1C2=C(C(=O)NC(=O)N2)NC1=O
CACTVS 3.341CN1C(=O)NC2=C1NC(=O)NC2=O
ACDLabs 10.04O=C1C2=C(NC(=O)N1)N(C(=O)N2)C
Name:9-METHYL URIC ACID
ChEMBL: CHEMBL34921
DrugBank: DB03293
ZINC: ZINC000002584391
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).