BioLiP

PDB

BioLiP

PDB CCD ID:

A1A0A

Number of entries in BioLiP:

Chemical formula:

C18 H19 F4 N3

InChI:

InChI=1S/C18H19F4N3/c1-11-6-15(24-16(23)7-11)13-8-12(9-14(19)17(13)20)10-25-4-2-18(21,22)3-5-25/h6-9H,2-5,10H2,1H3,(H2,23,24)

InChIKey:

UDTZICNKNULRRC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1cc(nc(c1)N)c2cc(cc(c2F)F)CN3CCC(CC3)(F)F
ACDLabs 12.01	Cc1cc(nc(N)c1)c1cc(cc(F)c1F)CN1CCC(F)(F)CC1
CACTVS 3.385	Cc1cc(N)nc(c1)c2cc(CN3CCC(F)(F)CC3)cc(F)c2F

Name:

(6M)-6-{5-[(4,4-difluoropiperidin-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).