BioLiP

PDB

BioLiP

PDB CCD ID:

A1A0D

Number of entries in BioLiP:

Chemical formula:

C16 H15 F4 N3

InChI:

InChI=1S/C16H15F4N3/c1-9-2-13(22-14(21)3-9)11-4-10(5-12(17)15(11)18)6-23-7-16(19,20)8-23/h2-5H,6-8H2,1H3,(H2,21,22)

InChIKey:

ZBCONLWMLUYADU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1cc(nc(c1)N)c2cc(cc(c2F)F)CN3CC(C3)(F)F
CACTVS 3.385	Cc1cc(N)nc(c1)c2cc(CN3CC(F)(F)C3)cc(F)c2F
ACDLabs 12.01	Cc1cc(nc(N)c1)c1cc(cc(F)c1F)CN1CC(F)(F)C1

Name:

(6M)-6-{5-[(3,3-difluoroazetidin-1-yl)methyl]-2,3-difluorophenyl}-4-methylpyridin-2-amine

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).