BioLiP

PDB

BioLiP

PDB CCD ID:

F38

Number of entries in BioLiP:

Chemical formula:

C15 H13 N3 O3 S

InChI:

InChI=1S/C15H13N3O3S/c16-22(20,21)9-10-5-7-11(8-6-10)14-17-13-4-2-1-3-12(13)15(19)18-14/h1-8H,9H2,(H2,16,20,21)(H,17,18,19)

InChIKey:

BSTJFPSLLBHMAU-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[S](=O)(=O)Cc1ccc(cc1)C2=Nc3ccccc3C(=O)N2
OpenEye OEToolkits 1.9.2	c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)CS(=O)(=O)N
ACDLabs 12.01	O=S(=O)(N)Cc3ccc(C2=Nc1c(cccc1)C(=O)N2)cc3

Name:

[4-(4-oxo-3,4-dihydroquinazolin-2- yl)phenyl]methanesulfonamide

ZINC:

ZINC000053846141

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).