BioLiP

PDB

BioLiP

PDB CCD ID:

0XN

Number of entries in BioLiP:

Chemical formula:

C13 H11 F2 N

InChI:

InChI=1S/C13H11F2N/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,13H,16H2

InChIKey:

WRKGTUUHIURRMW-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	NC(c1ccc(F)cc1)c2ccc(F)cc2
OpenEye OEToolkits 1.7.6	c1cc(ccc1C(c2ccc(cc2)F)N)F
ACDLabs 12.01	Fc1ccc(cc1)C(N)c2ccc(F)cc2

Name:

1,1-bis(4-fluorophenyl)methanamine

ZINC:

ZINC000019421488

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).