BioLiP

PDB

BioLiP

PDB CCD ID:

5GB

Number of entries in BioLiP:

Chemical formula:

C18 H14 N4 S

InChI:

InChI=1S/C18H14N4S/c1-11-4-2-5-12(10-11)16-17(23-18(19)22-16)15-8-7-13-14(21-15)6-3-9-20-13/h2-10H,1H3,(H2,19,22)

InChIKey:

DKLCXLVLUXDLJI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	Cc1cccc(c1)c2c(sc(n2)N)c3ccc4c(n3)cccn4
ACDLabs 12.01	n1c4c(ccc1c3c(c2cc(ccc2)C)nc(N)s3)nccc4
CACTVS 3.385	Cc1cccc(c1)c2nc(N)sc2c3ccc4ncccc4n3

Name:

4-(3-methylphenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine

ChEMBL:

CHEMBL4209540

ZINC:

ZINC000263620358

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).