SEQ2FUN

BioLiP

PDB CCD ID: NV9
Number of entries in BioLiP: 1
Chemical formula: C19 H15 Cl N2 O
InChI: InChI=1S/C19H15ClN2O/c20-16-8-4-5-14(11-16)12-19(23)22-18-13-21-10-9-17(18)15-6-2-1-3-7-15/h1-11,13H,12H2,(H,22,23)
InChIKey: VSOZJTYJJHNDPD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2ccncc2NC(=O)Cc3cccc(c3)Cl
ACDLabs 12.01O=C(Nc1cnccc1c1ccccc1)Cc1cccc(Cl)c1
CACTVS 3.385Clc1cccc(CC(=O)Nc2cnccc2c3ccccc3)c1
Name:2-(3-chlorophenyl)-N-(4-phenylpyridin-3-yl)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).