SEQ2FUN

BioLiP

PDB CCD ID: L6D
Number of entries in BioLiP: 3
Chemical formula: C15 H12 Cl N3 O
InChI: InChI=1S/C15H12ClN3O/c16-12-5-3-4-11(8-12)9-15(20)18-19-10-17-13-6-1-2-7-14(13)19/h1-8,10H,9H2,(H,18,20)
InChIKey: YHLCUCKEOZVUDL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)ncn2NC(=O)Cc3cccc(c3)Cl
CACTVS 3.385Clc1cccc(CC(=O)Nn2cnc3ccccc23)c1
ACDLabs 12.01Clc1cccc(c1)CC(=O)Nn1cnc2ccccc21
Name:N-(1H-benzimidazol-1-yl)-2-(3-chlorophenyl)acetamide
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).