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BioLiP Library

PDB CCD ID: 41L
Number of entries in BioLiP: 1
Chemical formula: C15 H13 N3 O
InChI: InChI=1S/C15H13N3O/c19-15(10-12-6-2-1-3-7-12)17-18-11-16-13-8-4-5-9-14(13)18/h1-9,11H,10H2,(H,17,19)
InChIKey: LGOMVYVBROQGHX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc(cc1)CC(=O)Nn2cnc3c2cccc3
ACDLabs 12.01O=C(Nn1c2ccccc2nc1)Cc3ccccc3
CACTVS 3.370O=C(Cc1ccccc1)Nn2cnc3ccccc23
Name:N-(1H-benzimidazol-1-yl)-2-phenylacetamide
ChEMBL: CHEMBL1560712
ZINC: ZINC000003187033
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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