SEQ2FUN

BioLiP

PDB CCD ID: NWI
Number of entries in BioLiP: 1
Chemical formula: C16 H12 Cl N3 O
InChI: InChI=1S/C16H12ClN3O/c17-13-5-1-3-11(7-13)8-15(21)20-14-10-18-9-12-4-2-6-19-16(12)14/h1-7,9-10H,8H2,(H,20,21)
InChIKey: AFQAFSYTYCJOEN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2nccc3
CACTVS 3.385Clc1cccc(CC(=O)Nc2cncc3cccnc23)c1
ACDLabs 12.01Clc1cccc(c1)CC(=O)Nc1cncc2cccnc21
Name:2-(3-chlorophenyl)-N-(1,6-naphthyridin-8-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).