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BioLiP

PDB CCD ID: A1IBA
Number of entries in BioLiP: 2
Chemical formula: C17 H15 N3 O
InChI: InChI=1S/C17H15N3O/c1-2-16(21)20-13-9-7-12(8-10-13)17-14-5-3-4-6-15(14)18-11-19-17/h3-11H,2H2,1H3,(H,20,21)
InChIKey: MUOSBHKCWDCAKK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCC(=O)Nc1ccc(cc1)c2c3ccccc3ncn2
CACTVS 3.385CCC(=O)Nc1ccc(cc1)c2ncnc3ccccc23
Name:N-(4-quinazolin-4-ylphenyl)propanamide
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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