SEQ2FUN

BioLiP

PDB CCD ID: H2J
Number of entries in BioLiP: 1
Chemical formula: C15 H14 Cl N O2
InChI: InChI=1S/C15H14ClNO2/c1-19-14-7-5-11(6-8-14)9-15(18)17-13-4-2-3-12(16)10-13/h2-8,10H,9H2,1H3,(H,17,18)
InChIKey: YWOVILWNVBQOEA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1ccc(CC(=O)Nc2cccc(Cl)c2)cc1
ACDLabs 12.01N(C(Cc1ccc(cc1)OC)=O)c2cccc(c2)Cl
OpenEye OEToolkits 2.0.6COc1ccc(cc1)CC(=O)Nc2cccc(c2)Cl
Name:N-(3-chlorophenyl)-2-(4-methoxyphenyl)acetamide
ChEMBL: CHEMBL5202864
ZINC: ZINC000000101388
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).