SEQ2FUN

BioLiP

PDB CCD ID: A1EJW
Number of entries in BioLiP: 2
Chemical formula: C15 H12 Cl N3 O2
InChI: InChI=1S/C15H12ClN3O2/c1-7-2-3-9(20)5-10(7)12-13(17)15(21)19-11-4-8(16)6-18-14(11)12/h2-6,20H,17H2,1H3,(H,19,21)
InChIKey: HOEBQLINEIJNTI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1ccc(O)cc1C2=C(N)C(=O)Nc3cc(Cl)cnc23
OpenEye OEToolkits 2.0.7Cc1ccc(cc1C2=C(C(=O)Nc3c2ncc(c3)Cl)N)O
Name:3-azanyl-7-chloranyl-4-(2-methyl-5-oxidanyl-phenyl)-1H-1,5-naphthyridin-2-one
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).