BioLiP

PDB

BioLiP

PDB CCD ID:

ESP

Number of entries in BioLiP:

Chemical formula:

C8 H8 N3 S

InChI:

InChI=1S/C8H7N3S/c9-7(10)6-4-5-2-1-3-11-8(5)12-6/h1-4H,(H3,9,10)/p+1

InChIKey:

GZEJMYFXZMUAEC-UHFFFAOYSA-O

SMILES:

Software	SMILES
CACTVS 3.341	NC(=[NH2+])c1sc2ncccc2c1
ACDLabs 10.04	n1cccc2c1sc(c2)\C(=[NH2+])N
OpenEye OEToolkits 1.5.0	c1cc2cc(sc2nc1)C(=[NH2+])N

Name:

THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE

DrugBank:

DB03876

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).