BioLiP

PDB

BioLiP

PDB CCD ID:

K8R

Number of entries in BioLiP:

Chemical formula:

C21 H24 N4 O2 S

InChI:

InChI=1S/C21H24N4O2S/c26-20(22-9-4-10-25-11-13-27-14-12-25)19-15-28-21(24-19)23-18-8-3-6-16-5-1-2-7-17(16)18/h1-3,5-8,15H,4,9-14H2,(H,22,26)(H,23,24)

InChIKey:

HIQHZLNHPUDXQS-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O=C(NCCCN1CCOCC1)c2csc(Nc3cccc4ccccc34)n2
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)cccc2Nc3nc(cs3)C(=O)NCCCN4CCOCC4

Name:

~{N}-(3-morpholin-4-ylpropyl)-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide

ZINC:

ZINC000019809711

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).