BioLiP

PDB

BioLiP

PDB CCD ID:

M5Y

Number of entries in BioLiP:

Chemical formula:

C7 H7 F2 N

InChI:

InChI=1S/C7H7F2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H,4,10H2

InChIKey:

QDZZDVQGBKTLHV-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	C(c1ccc(F)cc1F)N
CACTVS 3.385	NCc1ccc(F)cc1F
OpenEye OEToolkits 2.0.7	c1cc(c(cc1F)F)CN

Name:

1-(2,4-difluorophenyl)methanamine

ZINC:

ZINC000000409200

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).