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BioLiP

PDB CCD ID: 0JB
Number of entries in BioLiP: 2
Chemical formula: C15 H11 N7 O
InChI: InChI=1S/C15H11N7O/c23-15(11-5-2-6-12-13(11)17-8-16-12)18-10-4-1-3-9(7-10)14-19-21-22-20-14/h1-8H,(H,16,17)(H,18,23)(H,19,20,21,22)
InChIKey: OUXPKPPPOPWHCW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(c2cccc1ncnc12)Nc3cccc(c3)c4nnnn4
OpenEye OEToolkits 1.7.6c1cc(cc(c1)NC(=O)c2cccc3c2[nH]cn3)c4[nH]nnn4
CACTVS 3.370O=C(Nc1cccc(c1)c2[nH]nnn2)c3cccc4nc[nH]c34
Name:N-[3-(1H-tetrazol-5-yl)phenyl]-1H-benzimidazole-7-carboxamide
ChEMBL: CHEMBL2031556
ZINC: ZINC000084670976
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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