BioLiP

PDB

BioLiP

PDB CCD ID:

QBM

Number of entries in BioLiP:

Chemical formula:

C7 H11 N3 O S

InChI:

InChI=1S/C7H11N3OS/c1-3-4-12-7-8-6(11)5(2)9-10-7/h3-4H2,1-2H3,(H,8,10,11)

InChIKey:

FDEFEFHFXLJEDB-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCCSc1nnc(C)c(O)n1
OpenEye OEToolkits 2.0.7	CCCSc1nc(c(nn1)C)O
ACDLabs 12.01	CCCSc1nnc(c(O)n1)C

Name:

6-methyl-3-(propylsulfanyl)-1,2,4-triazin-5-ol

ZINC:

ZINC000009304258

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).