BioLiP

PDB

BioLiP

PDB CCD ID:

SVN

Number of entries in BioLiP:

Chemical formula:

C6 H5 N3 S

InChI:

InChI=1S/C6H5N3S/c7-4-3-10-6-5(4)8-1-2-9-6/h1-3H,7H2

InChIKey:

ZRVKSPNBHZCQKY-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1csc2nccnc12
OpenEye OEToolkits 1.7.6	c1cnc2c(n1)c(cs2)N
ACDLabs 12.01	n1c2scc(c2ncc1)N

Name:

thieno[2,3-b]pyrazin-7-amine

ZINC:

ZINC000012370881

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).