BioLiP

PDB

BioLiP

PDB CCD ID:

WGS

Number of entries in BioLiP:

Chemical formula:

C11 H15 F N2 O

InChI:

InChI=1S/C11H15FN2O/c12-10-2-1-5-13-11(10)14-8-9-3-6-15-7-4-9/h1-2,5,9H,3-4,6-8H2,(H,13,14)

InChIKey:

RDLLIXJKRKAZRZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(c(nc1)NCC2CCOCC2)F
CACTVS 3.385	Fc1cccnc1NCC2CCOCC2
ACDLabs 12.01	N(c1c(F)cccn1)CC2CCOCC2

Name:

3-fluoro-N-[(oxan-4-yl)methyl]pyridin-2-amine

ZINC:

ZINC000082545061

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).