BioLiP

PDB

BioLiP

PDB CCD ID:

YI0

Number of entries in BioLiP:

Chemical formula:

C15 H11 Cl N2 O3 S

InChI:

InChI=1S/C15H11ClN2O3S/c1-21-9-4-2-8(3-5-9)15-14(17-18-22-15)10-6-11(16)13(20)7-12(10)19/h2-7,19-20H,1H3

InChIKey:

FHKZHOZHULTQJI-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	COc1ccc(cc1)c2snnc2c3cc(Cl)c(O)cc3O
OpenEye OEToolkits 1.7.2	COc1ccc(cc1)c2c(nns2)c3cc(c(cc3O)O)Cl
ACDLabs 12.01	Clc3c(O)cc(O)c(c1nnsc1c2ccc(OC)cc2)c3

Name:

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

ChEMBL:

CHEMBL454733

ZINC:

ZINC000040380033

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).