BioLiP

PDB

BioLiP

PDB CCD ID:

P95

Number of entries in BioLiP:

Chemical formula:

C16 H10 N6 O2 S2

InChI:

InChI=1S/C16H10N6O2S2/c23-12(22-16-18-4-1-5-19-16)9-3-7-25-14(9)21-13(24)15-20-10-8-17-6-2-11(10)26-15/h1-8H,(H,21,24)(H,18,19,22,23)

InChIKey:

AJCHWWGZVVPQDY-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cnc(nc1)NC(=O)c2ccsc2NC(=O)c3nc4cnccc4s3
CACTVS 3.385	O=C(Nc1sccc1C(=O)Nc2ncccn2)c3sc4ccncc4n3

Name:

~{N}-[3-(pyrimidin-2-ylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide

ChEMBL:

CHEMBL4574762

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).