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BioLiP

PDB CCD ID: 4F8
Number of entries in BioLiP: 1
Chemical formula: C11 H8 N2 O4
InChI: InChI=1S/C11H8N2O4/c14-10(15)7-8(11(16)17)13-9(12-7)6-4-2-1-3-5-6/h1-5H,(H,12,13)(H,14,15)(H,16,17)
InChIKey: GTYWKHXMYZVFSU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.6.1c1ccc(cc1)c2[nH]c(c(n2)C(=O)O)C(=O)O
ACDLabs 10.04O=C(O)c2nc(c1ccccc1)nc2C(=O)O
CACTVS 3.352OC(=O)c1[nH]c(nc1C(O)=O)c2ccccc2
Name:2-PHENYL-1H-IMIDAZOLE-4,5-DICARBOXYLIC ACID
ChEMBL: CHEMBL1230276
ZINC: ZINC000000189552
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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