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BioLiP

PDB CCD ID: P69
Number of entries in BioLiP: 1
Chemical formula: C20 H15 F N2 O
InChI: InChI=1S/C20H15FN2O/c21-17-12-6-4-10-15(17)19-22-18-13-7-5-11-16(18)20(24)23(19)14-8-2-1-3-9-14/h1-13,19,22H/t19-/m0/s1
InChIKey: UMMDFHVNOCVOCD-IBGZPJMESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)N2C(Nc3ccccc3C2=O)c4ccccc4F
CACTVS 3.385Fc1ccccc1[C@H]2Nc3ccccc3C(=O)N2c4ccccc4
OpenEye OEToolkits 2.0.6c1ccc(cc1)N2[C@H](Nc3ccccc3C2=O)c4ccccc4F
CACTVS 3.385Fc1ccccc1[CH]2Nc3ccccc3C(=O)N2c4ccccc4
Name:(2S)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
ChEMBL: CHEMBL4063020
ZINC: ZINC000000104456
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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