BioLiP

PDB

BioLiP

PDB CCD ID:

DBT

Number of entries in BioLiP:

Chemical formula:

C14 H17 N O3 S

InChI:

InChI=1S/C14H17NO3S/c1-2-3-4-5-6-7-9-11(16)10-14(19-8-15-10)13(18)12(9)17/h8,17H,2-7H2,1H3

InChIKey:

CAPIRLKYURUNFL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CCCCCCCC1=C(C(=O)c2c(ncs2)C1=O)O
ACDLabs 10.04	O=C2c1scnc1C(=O)C(=C2O)CCCCCCC
CACTVS 3.341	CCCCCCCC1=C(O)C(=O)c2scnc2C1=O

Name:

5-HEPTYL-6-HYDROXY-1,3-BENZOTHIAZOLE-4,7-DIONE

ZINC:

ZINC000053683118

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).