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BioLiP

PDB CCD ID: II9
Number of entries in BioLiP: 4
Chemical formula: C22 H19 N5 O2
InChI: InChI=1S/C22H19N5O2/c1-13-7-6-10-16(24-13)22(29)27-17-12-19-18(11-15(17)21(28)23-2)25-20(26-19)14-8-4-3-5-9-14/h3-12H,1-2H3,(H,23,28)(H,25,26)(H,27,29)
InChIKey: FEZUIXBPOZHUAQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CNC(=O)c1cc2nc([nH]c2cc1NC(=O)c3cccc(C)n3)c4ccccc4
OpenEye OEToolkits 2.0.7Cc1cccc(n1)C(=O)Nc2cc3c(cc2C(=O)NC)nc([nH]3)c4ccccc4
ACDLabs 12.01Cc1cccc(n1)C(=O)Nc1cc2[NH]c(nc2cc1C(=O)NC)c1ccccc1
Name:N-methyl-6-[(6-methylpyridine-2-carbonyl)amino]-2-phenyl-1H-benzimidazole-5-carboxamide
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)(download the PDF file).
  • 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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