BioLiP

PDB

BioLiP

PDB CCD ID:

F33

Number of entries in BioLiP:

Chemical formula:

C17 H13 N3 O3

InChI:

InChI=1S/C17H13N3O3/c21-16-13-3-1-2-4-14(13)18-15(19-16)11-5-7-12(8-6-11)20-9-10-23-17(20)22/h1-8H,9-10H2,(H,18,19,21)

InChIKey:

PIZDAXYCXABQQI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)N4CCOC4=O
ACDLabs 12.01	O=C3c4ccccc4N=C(c2ccc(N1C(=O)OCC1)cc2)N3
CACTVS 3.385	O=C1NC(=Nc2ccccc12)c3ccc(cc3)N4CCOC4=O

Name:

2-[4-(2-OXO-1,3-OXAZOLIDIN-3-YL)PHENYL]-3,4-DIHYDROQUINAZOLIN-4-ONE

ChEMBL:

CHEMBL5270676

ZINC:

ZINC000040556047

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).