BioLiP

PDB

BioLiP

PDB CCD ID:

QU3

Number of entries in BioLiP:

Chemical formula:

C13 H15 N5 O4 S

InChI:

InChI=1S/C13H15N5O4S/c1-15-23(20,21)11-4-8(7-22-11)12(19)18-3-2-10-9(6-18)5-16-13(14)17-10/h4-5,7,15H,2-3,6H2,1H3,(H2,14,16,17)

InChIKey:

IPBSEFPXJIGJOL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CNS(=O)(=O)c1cc(co1)C(=O)N2CCc3c(cnc(n3)N)C2
CACTVS 3.385	CN[S](=O)(=O)c1occ(c1)C(=O)N2CCc3nc(N)ncc3C2
ACDLabs 12.01	O=C(c1coc(c1)S(=O)(=O)NC)N1Cc2cnc(N)nc2CC1

Name:

4-(2-amino-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carbonyl)-N-methylfuran-2-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).