BioLiP

PDB

BioLiP

PDB CCD ID:

4IS

Number of entries in BioLiP:

Chemical formula:

C10 H9 F2 N

InChI:

InChI=1S/C10H9F2N/c11-7-3-4-9(12)8(6-7)10-2-1-5-13-10/h3-4,6H,1-2,5H2

InChIKey:

QIZHVCUPPAMGIW-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(c(cc1F)C2=NCCC2)F
CACTVS 3.385	Fc1ccc(F)c(c1)C2=NCCC2

Name:

5-[2,5-bis(fluoranyl)phenyl]-3,4-dihydro-2~{H}-pyrrole

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).