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BioLiP

PDB CCD ID: TRM
Number of entries in BioLiP: 0
Chemical formula: C8 H6 N2 O2
InChI: InChI=1S/C8H6N2O2/c11-8(12)7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)(H,11,12)
InChIKey: RHXSYTACTOMVLJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC(=O)c1[nH]c2ccccc2n1
ACDLabs 10.04O=C(O)c2nc1ccccc1n2
OpenEye OEToolkits 1.5.0c1ccc2c(c1)[nH]c(n2)C(=O)O
Name:1H-BENOXIMIDAZOLE-2-CARBOXYLIC ACID
DrugBank: DB03028
ZINC: ZINC000000158649
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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