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BioLiP

PDB CCD ID: M3W
Number of entries in BioLiP: 2
Chemical formula: C16 H14 N2 O
InChI: InChI=1S/C16H14N2O/c1-10-6-8-12(9-7-10)15-17-14-11(2)4-3-5-13(14)16(19)18-15/h3-9H,1-2H3,(H,17,18,19)
InChIKey: VKQCBCMAFAIWOE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1ccc(cc1)C2=Nc3c(cccc3C(=O)N2)C
CACTVS 3.385Cc1ccc(cc1)C2=Nc3c(C)cccc3C(=O)N2
Name:8-METHYL-2-(4-METHYLPHENYL)-3,4-DIHYDROQUINAZOLIN-4-ONE
ChEMBL: CHEMBL3098940
ZINC: ZINC000103235561
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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