BioLiP

PDB

BioLiP

PDB CCD ID:

5ZR

Number of entries in BioLiP:

Chemical formula:

C11 H18 N2 O2 S

InChI:

InChI=1S/C11H18N2O2S/c1-2-3-4-5-6-7-8-9(10(14)15)13-11(12)16-8/h2-7H2,1H3,(H2,12,13)(H,14,15)

InChIKey:

REOSVLTUJCDFJX-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCCCCCCc1sc(N)nc1C(O)=O
OpenEye OEToolkits 2.0.7	CCCCCCCc1c(nc(s1)N)C(=O)O

Name:

2-azanyl-5-heptyl-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).