BioLiP

PDB

BioLiP

PDB CCD ID:

6L6

Number of entries in BioLiP:

Chemical formula:

C10 H10 O2 S2

InChI:

InChI=1S/C10H10O2S2/c1-14-10(13)6-9(12)7-3-2-4-8(11)5-7/h2-6,11-12H,1H3/b9-6-

InChIKey:

MOMLKGNSDNGKFJ-TWGQIWQCSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	C(\O)(c1cc(ccc1)O)=C\C(=S)SC
OpenEye OEToolkits 2.0.4	CSC(=S)C=C(c1cccc(c1)O)O
OpenEye OEToolkits 2.0.4	CSC(=S)/C=C(/c1cccc(c1)O)\O
CACTVS 3.385	CSC(=S)\C=C(O)\c1cccc(O)c1
CACTVS 3.385	CSC(=S)C=C(O)c1cccc(O)c1

Name:

methyl (2Z)-3-hydroxy-3-(3-hydroxyphenyl)prop-2-ene(dithioate)

ZINC:

ZINC000584904746

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).