BioLiP

PDB

BioLiP

PDB CCD ID:

Q8I

Number of entries in BioLiP:

Chemical formula:

C10 H11 F N2

InChI:

InChI=1S/C10H11FN2/c1-12-5-7-6-13-10-3-2-8(11)4-9(7)10/h2-4,6,12-13H,5H2,1H3

InChIKey:

HENQNXDSAFLWPN-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Fc1cc2c(cc1)[NH]cc2CNC
OpenEye OEToolkits 2.0.7	CNCc1c[nH]c2c1cc(cc2)F
CACTVS 3.385	CNCc1c[nH]c2ccc(F)cc12

Name:

1-(5-fluoro-1H-indol-3-yl)-N-methylmethanamine

ZINC:

ZINC000082587879

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).