BioLiP

PDB

BioLiP

PDB CCD ID:

47B

Number of entries in BioLiP:

Chemical formula:

C11 H6 F2 N4

InChI:

InChI=1S/C11H6F2N4/c12-8-2-1-7(5-9(8)13)10-6-17-4-3-14-11(17)16-15-10/h1-6H

InChIKey:

XBCQPBDYPOLZBE-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Fc3ccc(c1nnc2nccn2c1)cc3F
CACTVS 3.385	Fc1ccc(cc1F)c2cn3ccnc3nn2
OpenEye OEToolkits 1.9.2	c1cc(c(cc1c2cn3ccnc3nn2)F)F

Name:

3-(3,4-difluorophenyl)imidazo[2,1-c][1,2,4]triazine

ZINC:

ZINC000584904647

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).