BioLiP

PDB

BioLiP

PDB CCD ID:

S8P

Number of entries in BioLiP:

Chemical formula:

C10 H14 N2 O2 S

InChI:

InChI=1S/C10H14N2O2S/c1-7-5-9(12-15-7)10(13)11-6-8-3-2-4-14-8/h5,8H,2-4,6H2,1H3,(H,11,13)/t8-/m0/s1

InChIKey:

PYHOSVJXCWPVCG-QMMMGPOBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	Cc1cc(ns1)C(=O)NC[C@@H]2CCCO2
CACTVS 3.385	Cc1snc(c1)C(=O)NC[CH]2CCCO2
CACTVS 3.385	Cc1snc(c1)C(=O)NC[C@@H]2CCCO2
OpenEye OEToolkits 2.0.6	Cc1cc(ns1)C(=O)NCC2CCCO2

Name:

5-methyl-~{N}-[[(2~{S})-oxolan-2-yl]methyl]-1,2-thiazole-3-carboxamide

ZINC:

ZINC000096782552

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).