SEQ2FUN

BioLiP

PDB CCD ID: JXX
Number of entries in BioLiP: 4
Chemical formula: C12 H12 Cl N3 O
InChI: InChI=1S/C12H12ClN3O/c13-12-14-10-4-2-1-3-9(10)11(15-12)16-5-7-17-8-6-16/h1-4H,5-8H2
InChIKey: NJBDGZVAZRMIFM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Clc1nc(N2CCOCC2)c2ccccc2n1
CACTVS 3.385Clc1nc2ccccc2c(n1)N3CCOCC3
OpenEye OEToolkits 2.0.7c1ccc2c(c1)c(nc(n2)Cl)N3CCOCC3
Name:2-chloro-4-(morpholin-4-yl)quinazoline
ZINC: ZINC000003219793
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).