BioLiP

PDB

BioLiP

PDB CCD ID:

P69

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1ccc(cc1)N2C(Nc3ccccc3C2=O)c4ccccc4F
CACTVS 3.385	Fc1ccccc1[C@H]2Nc3ccccc3C(=O)N2c4ccccc4
OpenEye OEToolkits 2.0.6	c1ccc(cc1)N2[C@H](Nc3ccccc3C2=O)c4ccccc4F
CACTVS 3.385	Fc1ccccc1[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, Lydia 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).