SEQ2FUN

BioLiP

PDB CCD ID: CX4
Number of entries in BioLiP: 1
Chemical formula: C12 H12 Cl N3
InChI: InChI=1S/C12H12ClN3/c13-9-3-4-10-11(5-9)15-7-16-12(10)14-6-8-1-2-8/h3-5,7-8H,1-2,6H2,(H,14,15,16)
InChIKey: ZXFUVGWLRJOTTC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc2c(cc1Cl)ncnc2NCC3CC3
ACDLabs 10.04Clc3ccc1c(ncnc1NCC2CC2)c3
CACTVS 3.341Clc1ccc2c(NCC3CC3)ncnc2c1
Name:7-chloro-N-(cyclopropylmethyl)quinazolin-4-amine
ZINC: ZINC000001406332
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).