SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C6 H9 N5 O2 S

InChI:

InChI=1S/C6H9N5O2S/c1-14-5-2(4(8)12)3(7)11(10-5)6(9)13/h7H2,1H3,(H2,8,12)(H2,9,13)

InChIKey:

TUVCBRIDRHWVLF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	CSc1c(c(n(n1)C(=O)N)N)C(=O)N
ACDLabs 12.01	c1(c(n(C(N)=O)nc1SC)N)C(=O)N
CACTVS 3.385	CSc1nn(C(N)=O)c(N)c1C(N)=O

Name:

5-amino-3-(methylsulfanyl)-1H-pyrazole-1,4-dicarboxamide;
5-Amino-3-methylsulfanyl-pyrazole-1,4-dicarboxylicacid diamide

ChEMBL:

ZINC:

ZINC000584905312

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).