BioLiP

PDB

BioLiP

PDB CCD ID:

A1BC2

Number of entries in BioLiP:

Chemical formula:

C10 H11 F N2

InChI:

InChI=1S/C10H11FN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4,12H2

InChIKey:

ZKIORVIXEWIOGB-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NCCc1c[nH]c2ccc(F)cc12
OpenEye OEToolkits 3.1.0.0	c1cc2c(cc1F)c(c[nH]2)CCN
ACDLabs 14.52	Fc1cc2c(cc1)[NH]cc2CCN

Name:

2-(5-fluoro-1H-indol-3-yl)ethan-1-amine

ChEMBL:

CHEMBL275628

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).