BioLiP

PDB

BioLiP

PDB CCD ID:

5YT

Number of entries in BioLiP:

Chemical formula:

C8 H10 N2 O2 S

InChI:

InChI=1S/C8H10N2O2S/c1-2-3-4-5-6(7(11)12)10-8(9)13-5/h2H,1,3-4H2,(H2,9,10)(H,11,12)

InChIKey:

SVKPUZITXRBIOK-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1sc(CCC=C)c(n1)C(O)=O
OpenEye OEToolkits 2.0.7	C=CCCc1c(nc(s1)N)C(=O)O

Name:

2-azanyl-5-but-3-enyl-1,3-thiazole-4-carboxylic acid

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).