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BioLiP

PDB CCD ID: C91
Number of entries in BioLiP: 30
Chemical formula: C24 H18 N4 O
InChI: InChI=1S/C24H18N4O/c29-23(26-19-13-12-17-7-1-2-8-18(17)15-19)16-28-22-11-4-3-9-20(22)27-24(28)21-10-5-6-14-25-21/h1-15H,16H2,(H,26,29)
InChIKey: XYCMWFINXXFAFG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(Nc2cc1ccccc1cc2)Cn4c5ccccc5nc4c3ncccc3
OpenEye OEToolkits 1.7.6c1ccc2cc(ccc2c1)NC(=O)Cn3c4ccccc4nc3c5ccccn5
CACTVS 3.385O=C(Cn1c2ccccc2nc1c3ccccn3)Nc4ccc5ccccc5c4
Name:N-(naphthalen-2-yl)-2-[2-(pyridin-2-yl)-1H-benzimidazol-1-yl]acetamide
ChEMBL: CHEMBL1957258
ZINC: ZINC000070463261
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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