SEQ2FUN

BioLiP

PDB CCD ID: H1Y
Number of entries in BioLiP: 1
Chemical formula: C14 H12 Cl N O
InChI: InChI=1S/C14H12ClNO/c15-12-7-4-8-13(10-12)16-14(17)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,16,17)
InChIKey: GAWITMMQHFGOMV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)CC(=O)Nc2cccc(c2)Cl
ACDLabs 12.01N(C(Cc1ccccc1)=O)c2cccc(c2)Cl
CACTVS 3.385Clc1cccc(NC(=O)Cc2ccccc2)c1
Name:N-(3-chlorophenyl)-2-phenylacetamide
ZINC: ZINC000000240506
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).