BioLiP

PDB

BioLiP

PDB CCD ID:

YXO

Number of entries in BioLiP:

Chemical formula:

C9 H8 F2 N2

InChI:

InChI=1S/C9H8F2N2/c10-9(11)13-4-3-6-5-7(12)1-2-8(6)13/h1-5,9H,12H2

InChIKey:

MTRDMFDHRBOAGV-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	FC(F)n1ccc2cc(N)ccc21
CACTVS 3.385	Nc1ccc2n(ccc2c1)C(F)F
OpenEye OEToolkits 2.0.7	c1cc2c(ccn2C(F)F)cc1N

Name:

1-(difluoromethyl)-1H-indol-5-amine

ZINC:

ZINC000223661628

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).