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BioLiP

PDB CCD ID: 3PF
Number of entries in BioLiP: 8
Chemical formula: C9 H10 N2 O
InChI: InChI=1S/C9H10N2O/c1-11-6-7-4-2-3-5-8(7)10-9(11)12/h2-5H,6H2,1H3,(H,10,12)
InChIKey: GINUUQLRYXHAPB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370
OpenEye OEToolkits 1.7.0		CN1Cc2ccccc2NC1=O
ACDLabs 12.01O=C2Nc1c(cccc1)CN2C
Name:3-methyl-3,4-dihydroquinazolin-2(1H)-one
ChEMBL: CHEMBL1230189
ZINC: ZINC000004975882
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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