BioLiP

PDB

BioLiP

PDB CCD ID:

LNJ

Number of entries in BioLiP:

Chemical formula:

C17 H16 N2 O S

InChI:

InChI=1S/C17H16N2OS/c1-20-15-8-4-13(5-9-15)10-12-2-6-14(7-3-12)16-11-21-17(18)19-16/h2-9,11H,10H2,1H3,(H2,18,19)

InChIKey:

GGCCOFFVKJCRKJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c2cc(c1nc(sc1)N)ccc2Cc3ccc(cc3)OC
CACTVS 3.385	COc1ccc(Cc2ccc(cc2)c3csc(N)n3)cc1
OpenEye OEToolkits 2.0.7	COc1ccc(cc1)Cc2ccc(cc2)c3csc(n3)N

Name:

4-{4-[(4-methoxyphenyl)methyl]phenyl}-1,3-thiazol-2-amine

ChEMBL:

CHEMBL4476527

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).