BioLiP

PDB

BioLiP

PDB CCD ID:

71B

Number of entries in BioLiP:

Chemical formula:

C7 H8 F N O

InChI:

InChI=1S/C7H8FNO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,9H2,1H3

InChIKey:

LJWAPDSCYTZUJU-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01 OpenEye OEToolkits 2.0.5	COc1ccc(cc1F)N
CACTVS 3.385	COc1ccc(N)cc1F

Name:

3-fluoro-4-methoxyaniline

ZINC:

ZINC000000389573

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).