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BioLiP

PDB CCD ID: BZC
Number of entries in BioLiP: 1
Chemical formula: C15 H13 N3 O2
InChI: InChI=1S/C15H13N3O2/c1-20-10-5-2-4-9(8-10)15-17-12-7-3-6-11(14(16)19)13(12)18-15/h2-8H,1H3,(H2,16,19)(H,17,18)
InChIKey: NVVWVYYHTKCIAE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0COc1cccc(c1)c2[nH]c3cccc(c3n2)C(=O)N
CACTVS 3.341COc1cccc(c1)c2[nH]c3cccc(C(N)=O)c3n2
ACDLabs 10.04O=C(c3cccc1c3nc(n1)c2cccc(OC)c2)N
Name:2-(3'-METHOXYPHENYL) BENZIMIDAZOLE-4-CARBOXAMIDE
ChEMBL: CHEMBL134022
DrugBank: DB04010
ZINC: ZINC000011565446
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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