BioLiP

PDB

BioLiP

PDB CCD ID:

WXK

Number of entries in BioLiP:

Chemical formula:

C11 H12 N4 O4 S

InChI:

InChI=1S/C11H12N4O4S/c1-11(2-3-11)15-20(18,19)6-4-7-8(12-5-6)13-10(17)14-9(7)16/h4-5,15H,2-3H2,1H3,(H2,12,13,14,16,17)

InChIKey:

CSGYXQGPYNFEFB-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC1(CC1)N[S](=O)(=O)c2cnc3NC(=O)NC(=O)c3c2
ACDLabs 12.01	CC1(CC1)NS(=O)(=O)c1cnc2NC(=O)NC(=O)c2c1
OpenEye OEToolkits 2.0.7	CC1(CC1)NS(=O)(=O)c2cc3c(nc2)NC(=O)NC3=O

Name:

N-(1-methylcyclopropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-sulfonamide

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).