BioLiP

PDB

BioLiP

PDB CCD ID:

QB9

Number of entries in BioLiP:

Chemical formula:

C10 H12 N4 O3 S

InChI:

InChI=1S/C10H12N4O3S/c11-9-7(6-12-10(15)14-9)2-1-5-13-18(16,17)8-3-4-8/h6,8,13H,3-5H2,(H3,11,12,14,15)

InChIKey:

IMYCWWNWNOANBE-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC1=NC(=O)NC=C1C#CCN[S](=O)(=O)C2CC2
OpenEye OEToolkits 2.0.7	C1CC1S(=O)(=O)NCC#CC2=CNC(=O)N=C2N

Name:

~{N}-[3-(4-azanyl-2-oxidanylidene-1~{H}-pyrimidin-5-yl)prop-2-ynyl]cyclopropanesulfonamide;
N-(3-(4-amino-2-oxo-1,2-dihydropyrimidin-5-yl)prop-2-yn-1-yl)cyclopropanesulfonamide

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).