BioLiP

PDB

BioLiP

PDB CCD ID:

3EI

Number of entries in BioLiP:

Chemical formula:

C16 H12 N4 O S

InChI:

InChI=1S/C16H12N4OS/c21-12-6-4-11(5-7-12)18-16-19-13(10-22-16)14-9-17-15-3-1-2-8-20(14)15/h1-10,21H,(H,18,19)

InChIKey:

NAJHZKDVMWYLOU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccn2c(c1)ncc2c3csc(n3)Nc4ccc(cc4)O
CACTVS 3.385	Oc1ccc(Nc2scc(n2)c3cnc4ccccn34)cc1

Name:

4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenol

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).