SEQ2FUN

BioLiP

PDB CCD ID: 3GX
Number of entries in BioLiP: 2
Chemical formula: C15 H16 N2 O
InChI: InChI=1S/C15H16N2O/c1-17-9-5-8-12-14(17)10-13(16-15(12)18)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H,16,18)
InChIKey: DTMHAFMUJHYVGK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C1NC(=CC2=C1CCCN2C)c3ccccc3
CACTVS 3.385
OpenEye OEToolkits 1.9.2		CN1CCCC2=C1C=C(NC2=O)c3ccccc3
Name:1-methyl-7-phenyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5(1H)-one
ChEMBL: CHEMBL3589281
ZINC: ZINC000146079446
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).