BioLiP

PDB

BioLiP

PDB CCD ID:

9U2

Number of entries in BioLiP:

Chemical formula:

C7 H9 N O S

InChI:

InChI=1S/C7H9NOS/c1-5(2)7-6(3-9)8-4-10-7/h3-5H,1-2H3

InChIKey:

ZNCIEQFZRKIVOL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CC(C)c1c(ncs1)C=O
CACTVS 3.385	CC(C)c1scnc1C=O

Name:

5-propan-2-yl-1,3-thiazole-4-carbaldehyde

ZINC:

ZINC000038292515

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).