BioLiP

PDB

BioLiP

PDB CCD ID:

RF2

Number of entries in BioLiP:

Chemical formula:

C14 H10 F N3

InChI:

InChI=1S/C14H10FN3/c15-12-8-6-11(7-9-12)14-16-13(17-18-14)10-4-2-1-3-5-10/h1-9H,(H,16,17,18)

InChIKey:

KMGPJKOKSYGMJD-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	Fc1ccc(cc1)c2[nH]c(nn2)c3ccccc3
ACDLabs 10.04	Fc3ccc(c2nnc(c1ccccc1)n2)cc3
OpenEye OEToolkits 1.5.0	c1ccc(cc1)c2[nH]c(nn2)c3ccc(cc3)F

Name:

3-(4-fluorophenyl)-5-phenyl-4H-1,2,4-triazole

DrugBank:

DB08470

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).