BioLiP

PDB

BioLiP

PDB CCD ID:

P9L

Number of entries in BioLiP:

Chemical formula:

C14 H19 N3 O4 S

InChI:

InChI=1S/C14H19N3O4S/c1-15-10-11-9-12(3-4-13(11)16(2)14(15)18)22(19,20)17-5-7-21-8-6-17/h3-4,9H,5-8,10H2,1-2H3

InChIKey:

LFBDSGLXLXJATE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	CN1Cc2cc(ccc2N(C1=O)C)S(=O)(=O)N3CCOCC3
CACTVS 3.385	CN1Cc2cc(ccc2N(C)C1=O)[S](=O)(=O)N3CCOCC3
ACDLabs 12.01	O=S(=O)(N1CCOCC1)c3cc2c(N(C(=O)N(C)C2)C)cc3

Name:

1,3-dimethyl-6-(morpholin-4-ylsulfonyl)-3,4-dihydroquinazolin-2(1H)-one

ChEMBL:

CHEMBL1950957

ZINC:

ZINC000001422669

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).