BioLiP

PDB

BioLiP

PDB CCD ID:

1GV

Number of entries in BioLiP:

Chemical formula:

C18 H16 O2 S

InChI:

InChI=1S/C18H16O2S/c1-11-9-13(19)3-5-15(11)17-7-8-18(21-17)16-6-4-14(20)10-12(16)2/h3-10,19-20H,1-2H3

InChIKey:

YNNUHVCXPCSFPM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	Cc1cc(O)ccc1c2sc(cc2)c3ccc(O)cc3C
ACDLabs 12.01	Oc3ccc(c2sc(c1c(cc(O)cc1)C)cc2)c(c3)C
OpenEye OEToolkits 1.7.6	Cc1cc(ccc1c2ccc(s2)c3ccc(cc3C)O)O

Name:

4,4'-thiene-2,5-diylbis(3-methylphenol)

ChEMBL:

CHEMBL2332602

ZINC:

ZINC000095586686

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).