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BioLiP

PDB CCD ID: QUZ
Number of entries in BioLiP: 2
Chemical formula: C8 H6 N2
InChI: InChI=1S/C8H6N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-6H
InChIKey: JWVCLYRUEFBMGU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc2c(c1)cncn2
ACDLabs 12.01n2c1c(cccc1)cnc2
CACTVS 3.370c1ccc2ncncc2c1
Name:quinazoline
ChEMBL: CHEMBL301359
ZINC: ZINC000000160344
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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