BioLiP

PDB

BioLiP

PDB CCD ID:

0VV

Number of entries in BioLiP:

Chemical formula:

C8 H10 N4 O2 S

InChI:

InChI=1S/C8H10N4O2S/c9-15(13,14)12-8-10-5-6-3-1-2-4-7(6)11-8/h1-4H,5H2,(H2,9,13,14)(H2,10,11,12)

InChIKey:

NQQBFHZTZMKZCO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1ccc2c(c1)CN/C(=N\S(=O)(=O)N)/N2
CACTVS 3.370	N[S](=O)(=O)N=C1NCc2ccccc2N1
ACDLabs 12.01	O=S(=O)(/N=C2/Nc1c(cccc1)CN2)N
OpenEye OEToolkits 1.7.6	c1ccc2c(c1)CNC(=NS(=O)(=O)N)N2

Name:

N-[(2E)-3,4-dihydroquinazolin-2(1H)-ylidene]sulfuric diamide

ZINC:

ZINC000095921354

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).