SEQ2FUN

BioLiP

PDB CCD ID: 8JF
Number of entries in BioLiP: 1
Chemical formula: C18 H17 N3 O
InChI: InChI=1S/C18H17N3O/c1-11-6-4-7-14(12(11)2)18-15-8-5-9-19-16(15)10-17(21-18)20-13(3)22/h4-10H,1-3H3,(H,20,21,22)
InChIKey: PKMWVRXJFLQNGE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c2cnc1cc(NC(=O)C)nc(c1c2)c3c(C)c(C)ccc3
OpenEye OEToolkits 2.0.7Cc1cccc(c1C)c2c3cccnc3cc(n2)NC(=O)C
CACTVS 3.385CC(=O)Nc1cc2ncccc2c(n1)c3cccc(C)c3C
Name:N-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide
ChEMBL: CHEMBL4463391
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).