BioLiP

PDB

BioLiP

PDB CCD ID:

B2T

Number of entries in BioLiP:

Chemical formula:

C10 H9 Cl N4 S

InChI:

InChI=1S/C10H9ClN4S/c1-16-10-14-8(13-9(12)15-10)6-4-2-3-5-7(6)11/h2-5H,1H3,(H2,12,13,14,15)

InChIKey:

JVOIPLKVZOLUDL-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	CSc1nc(N)nc(n1)c2ccccc2Cl
OpenEye OEToolkits 1.7.2	CSc1nc(nc(n1)N)c2ccccc2Cl
ACDLabs 12.01	Clc2c(c1nc(nc(SC)n1)N)cccc2

Name:

4-(2-chlorophenyl)-6-(methylsulfanyl)-1,3,5-triazin-2-amine

ChEMBL:

CHEMBL1834095

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).