SEQ2FUN

BioLiP

PDB CCD ID: ZD7
Number of entries in BioLiP: 1
Chemical formula: C26 H26 N6 O
InChI: InChI=1S/C26H26N6O/c1-3-19-15-24-22(23(4-2)27-19)13-14-25(33)32(24)16-17-9-11-18(12-10-17)20-7-5-6-8-21(20)26-28-30-31-29-26/h5-12,15H,3-4,13-14,16H2,1-2H3,(H,28,29,30,31)
InChIKey: BFVNEYDCFJNLGN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCc1cc2N(Cc3ccc(cc3)c4ccccc4c5[nH]nnn5)C(=O)CCc2c(CC)n1
ACDLabs 12.01O=C2N(c1cc(nc(c1CC2)CC)CC)Cc5ccc(c3ccccc3c4nnnn4)cc5
OpenEye OEToolkits 1.9.2CCc1cc2c(c(n1)CC)CCC(=O)N2Cc3ccc(cc3)c4ccccc4c5[nH]nnn5
Name:5,7-diethyl-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-3,4-dihydro-1,6-naphthyridin-2(1H)-one
ChEMBL: CHEMBL159096
ZINC: ZINC000003784334
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).