BioLiP

PDB

BioLiP

PDB CCD ID:

A1A4A

Number of entries in BioLiP:

Chemical formula:

C9 H13 N3 O2 S

InChI:

InChI=1S/C9H13N3O2S/c1-2-7-11-12-9(15-7)10-8(13)6-4-3-5-14-6/h6H,2-5H2,1H3,(H,10,12,13)

InChIKey:

KKBVPDRSYCAPEU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	CCc1nnc(s1)NC(=O)C2CCCO2
CACTVS 3.385	CCc1sc(NC(=O)[C@H]2CCCO2)nn1
CACTVS 3.385	CCc1sc(NC(=O)[CH]2CCCO2)nn1
ACDLabs 14.52	O=C(Nc1nnc(CC)s1)C1CCCO1
OpenEye OEToolkits 3.1.0.0	CCc1nnc(s1)NC(=O)[C@H]2CCCO2

Name:

(2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide

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).