BioLiP

PDB

BioLiP

PDB CCD ID:

BZ8

Number of entries in BioLiP:

Chemical formula:

C16 H13 Cl N2 O3 S

InChI:

InChI=1S/C16H13ClN2O3S/c1-2-22-10-5-3-9(4-6-10)16-15(18-19-23-16)11-7-12(17)14(21)8-13(11)20/h3-8,20-21H,2H2,1H3

InChIKey:

RFRZSMIYYCXYNL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	CCOc1ccc(cc1)c2c(nns2)c3cc(c(cc3O)O)Cl
CACTVS 3.370	CCOc1ccc(cc1)c2snnc2c3cc(Cl)c(O)cc3O
ACDLabs 12.01	Clc3c(O)cc(O)c(c1nnsc1c2ccc(OCC)cc2)c3

Name:

4-CHLORO-6-[5-(4-ETHOXYPHENYL)-1,2,3-THIADIAZOL-4-YL BENZENE-1,3-DIOL

ChEMBL:

CHEMBL517583

ZINC:

ZINC000040392358

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).