SEQ2FUN

BioLiP

PDB CCD ID: QZN
Number of entries in BioLiP: 1
Chemical formula: C17 H24 Cl N3 O
InChI: InChI=1S/C17H24ClN3O/c1-2-3-4-5-6-7-8-9-16-20-15-12-13(18)10-11-14(15)17(22)21(16)19/h10-12H,2-9,19H2,1H3
InChIKey: PLTFJOYTWYIUIG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CCCCCCCCCC1=Nc2cc(Cl)ccc2C(=O)N1N
ACDLabs 12.01Clc2ccc1c(N=C(N(C1=O)N)CCCCCCCCC)c2
OpenEye OEToolkits 1.7.6CCCCCCCCCC1=Nc2cc(ccc2C(=O)N1N)Cl
Name:3-amino-7-chloro-2-nonylquinazolin-4(3H)-one
ChEMBL: CHEMBL4518045
ZINC: ZINC000095617240
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).