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BioLiP

PDB CCD ID: 25F
Number of entries in BioLiP: 2
Chemical formula: C14 H9 Br N2 O
InChI: InChI=1S/C14H9BrN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8H,(H,16,17,18)
InChIKey: NRCCYFAMXZIJSC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)Br
CACTVS 3.370Brc1ccc(cc1)C2=Nc3ccccc3C(=O)N2
ACDLabs 12.01Brc3ccc(C2=Nc1c(cccc1)C(=O)N2)cc3
Name:2-(4-bromophenyl)-3,4-dihydroquinazolin-4-one
ChEMBL: CHEMBL2058057
ZINC: ZINC000000289772
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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