BioLiP

PDB

BioLiP

PDB CCD ID:

XER

Number of entries in BioLiP:

Chemical formula:

C7 H2 Cl F O2 S2

InChI:

InChI=1S/C7H2ClFO2S2/c8-4-5-2(1-3(9)13-5)12-6(4)7(10)11/h1H,(H,10,11)

InChIKey:

UXMBSHHPPVOPJU-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Fc1cc2sc(c(Cl)c2s1)C(=O)O
CACTVS 3.385	OC(=O)c1sc2cc(F)sc2c1Cl
OpenEye OEToolkits 2.0.7	c1c2c(c(c(s2)C(=O)O)Cl)sc1F

Name:

3-chloro-5-fluorothieno[3,2-b]thiophene-2-carboxylic acid

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).