SEQ2FUN

BioLiP

PDB CCD ID: NU0
Number of entries in BioLiP: 1
Chemical formula: C16 H12 Cl N3 O
InChI: InChI=1S/C16H12ClN3O/c17-13-3-1-2-11(6-13)7-16(21)20-15-10-19-8-12-4-5-18-9-14(12)15/h1-6,8-10H,7H2,(H,20,21)
InChIKey: VQNYZMIKTVJRNS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cncc3
CACTVS 3.385Clc1cccc(CC(=O)Nc2cncc3ccncc23)c1
ACDLabs 12.01Clc1cccc(c1)CC(=O)Nc1cncc2ccncc21
Name:2-(3-chlorophenyl)-N-(2,6-naphthyridin-4-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).