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BioLiP

PDB CCD ID: BK9
Number of entries in BioLiP: 2
Chemical formula: C10 H10 N2 O
InChI: InChI=1S/C10H10N2O/c1-2-13-10-8-5-3-4-6-9(8)11-7-12-10/h3-7H,2H2,1H3
InChIKey: KHYIWRGNPLBXDS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCOc1ncnc2ccccc12
ACDLabs 12.01n2c1c(cccc1)c(OCC)nc2
OpenEye OEToolkits 1.7.6CCOc1c2ccccc2ncn1
Name:4-ethoxyquinazoline
ChEMBL: CHEMBL263379
ZINC: ZINC000000343321
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).
  • 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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