SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C11 H11 F N2 O S

InChI:

InChI=1S/C11H11FN2OS/c12-8-1-2-9-7(5-8)6-10(14-9)11(15)13-3-4-16/h1-2,5-6,14,16H,3-4H2,(H,13,15)

InChIKey:

JFUIHGAGFMFNRD-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	Fc1cc2c(cc1)nc(c2)C(=O)NCCS
OpenEye OEToolkits 1.5.0	c1cc2c(cc1F)cc([nH]2)C(=O)NCCS
CACTVS 3.341	Fc1ccc2[nH]c(cc2c1)C(=O)NCCS

Name:

5-FLUORO-1H-INDOLE-2-CARBOXYLIC ACID-(2-MERCAPTO-ETHYL)-AMIDE;
FICA

DrugBank:

ZINC:

ZINC000005889384

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).