BioLiP

PDB

BioLiP

PDB CCD ID:

H29

Number of entries in BioLiP:

Chemical formula:

C12 H13 N3 S

InChI:

InChI=1S/C12H13N3S/c13-10-1-2-12(14-7-10)15-5-3-11-9(8-15)4-6-16-11/h1-2,4,6-7H,3,5,8,13H2

InChIKey:

VEJCYGREDNZFMG-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1ccc(nc1)N2CCc3sccc3C2
OpenEye OEToolkits 2.0.7	c1cc(ncc1N)N2CCc3c(ccs3)C2

Name:

6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridin-3-amine

ZINC:

ZINC000012778440

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).