SEQ2FUN

BioLiP

PDB CCD ID: 1LQ
Number of entries in BioLiP: 8
Chemical formula: C8 H7 N3
InChI: InChI=1S/C8H7N3/c9-8-6-3-1-2-4-7(6)10-5-11-8/h1-5H,(H2,9,10,11)
InChIKey: DRYRBWIFRVMRPV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Nc1ncnc2ccccc12
ACDLabs 12.01n2c1c(cccc1)c(nc2)N
OpenEye OEToolkits 1.7.6c1ccc2c(c1)c(ncn2)N
Name:quinazolin-4-amine
ChEMBL: CHEMBL266128
ZINC: ZINC000000331945
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).