BioLiP

PDB

BioLiP

PDB CCD ID:

QXO

Number of entries in BioLiP:

Chemical formula:

C10 H8 F N O2

InChI:

InChI=1S/C10H8FNO2/c11-8-2-1-7-3-4-12(6-10(13)14)9(7)5-8/h1-5H,6H2,(H,13,14)

InChIKey:

UVPVRQIYZWPBEJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(cc2c1ccn2CC(=O)O)F
CACTVS 3.385	OC(=O)Cn1ccc2ccc(F)cc12

Name:

2-(6-fluoranylindol-1-yl)ethanoic acid;
2-(6-fluoro-1H-indol-1-yl)acetic acid

ZINC:

ZINC000004973398

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).