SEQ2FUN

BioLiP

PDB CCD ID: 9GX
Number of entries in BioLiP: 1
Chemical formula: C19 H24 N4 O2
InChI: InChI=1S/C19H24N4O2/c1-25-17-9-5-4-8-16(17)22-10-12-23(13-11-22)19-20-15-7-3-2-6-14(15)18(24)21-19/h4-5,8-9H,2-3,6-7,10-13H2,1H3,(H,20,21,24)
InChIKey: OQNRYQMRIGYPGK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.6		COc1ccccc1N2CCN(CC2)C3=NC4=C(CCCC4)C(=O)N3
ACDLabs 12.01c1(ccccc1OC)N4CCN(C=3NC(C=2CCCCC=2N=3)=O)CC4
Name:2-[4-(2-methoxyphenyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-4(3H)-one
ChEMBL: CHEMBL4454483
ZINC: ZINC000008993398
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).