BioLiP

PDB

BioLiP

PDB CCD ID:

RWS

Number of entries in BioLiP:

Chemical formula:

C8 H13 N3 S

InChI:

InChI=1S/C8H13N3S/c1-7-9-10-8(12-7)11-5-3-2-4-6-11/h2-6H2,1H3

InChIKey:

IIDJDXATFNHHGO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	Cc1nnc(s1)N2CCCCC2
CACTVS 3.385	Cc1sc(nn1)N2CCCCC2
ACDLabs 12.01	n1nc(C)sc1N2CCCCC2

Name:

1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine

ZINC:

ZINC000084291760

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).