BioLiP

PDB

BioLiP

PDB CCD ID:

R2O

Number of entries in BioLiP:

Chemical formula:

C9 H10 F N3

InChI:

InChI=1S/C9H10FN3/c10-7-1-3-8(4-2-7)13-9-11-5-6-12-9/h1-4H,5-6H2,(H2,11,12,13)

InChIKey:

IOUVWAKVDFTALH-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01 CACTVS 3.385	Fc1ccc(NC2=NCCN2)cc1
OpenEye OEToolkits 2.0.7	c1cc(ccc1NC2=NCCN2)F

Name:

N-(4-fluorophenyl)-4,5-dihydro-1H-imidazol-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).