BioLiP

PDB

BioLiP

PDB CCD ID:

5IM

Number of entries in BioLiP:

Chemical formula:

C8 H13 N3 S

InChI:

InChI=1S/C8H13N3S/c9-7-6-12-8(10-7)11-4-2-1-3-5-11/h6H,1-5,9H2

InChIKey:

UXCNXLNTJSYWJW-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1c(nc(s1)N2CCCCC2)N
CACTVS 3.385	Nc1csc(n1)N2CCCCC2

Name:

2-(1-PIPERIDINYL)-1,3-THIAZOL-4-AMINE

ZINC:

ZINC000012505797

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).