BioLiP

PDB

BioLiP

PDB CCD ID:

F75

Number of entries in BioLiP:

Chemical formula:

C5 H6 N2 O2 S

InChI:

InChI=1S/C5H6N2O2S/c6-1-4-7-3(2-10-4)5(8)9/h2H,1,6H2,(H,8,9)

InChIKey:

DOIRUXCDSGNCMX-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NCc1scc(n1)C(O)=O
OpenEye OEToolkits 2.0.6	c1c(nc(s1)CN)C(=O)O

Name:

2-(aminomethyl)-1,3-thiazole-4-carboxylic acid

ZINC:

ZINC000001727106

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).