BioLiP

PDB

BioLiP

PDB CCD ID:

WHS

Number of entries in BioLiP:

Chemical formula:

C9 H14 N2 O S

InChI:

InChI=1S/C9H14N2OS/c1-7-6-13-9(11-7)10-5-8-3-2-4-12-8/h6,8H,2-5H2,1H3,(H,10,11)/t8-/m1/s1

InChIKey:

VWLMRMKWLYRBMA-MRVPVSSYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	n1c(C)csc1NCC2CCCO2
OpenEye OEToolkits 2.0.7	Cc1csc(n1)NC[C@H]2CCCO2
CACTVS 3.385	Cc1csc(NC[CH]2CCCO2)n1
OpenEye OEToolkits 2.0.7	Cc1csc(n1)NCC2CCCO2
CACTVS 3.385	Cc1csc(NC[C@H]2CCCO2)n1

Name:

4-methyl-N-{[(2R)-oxolan-2-yl]methyl}-1,3-thiazol-2-amine

ZINC:

ZINC000021013646

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).