BioLiP

PDB

BioLiP

PDB CCD ID:

A1LV1

Number of entries in BioLiP:

Chemical formula:

C22 H16 Cl F3 N10 O2

InChI:

InChI=1S/C22H16ClF3N10O2/c1-11-6-12(9-27)7-14(19(37)28-2)17(11)30-20(38)16-8-13(10-35-33-21(31-34-35)22(24,25)26)32-36(16)18-15(23)4-3-5-29-18/h3-8H,10H2,1-2H3,(H,28,37)(H,30,38)

InChIKey:

KNDVJPKNBVIKML-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CNC(=O)c1cc(cc(C)c1NC(=O)c2cc(Cn3nnc(n3)C(F)(F)F)nn2c4ncccc4Cl)C#N
OpenEye OEToolkits 2.0.7	Cc1cc(cc(c1NC(=O)c2cc(nn2c3c(cccn3)Cl)Cn4nc(nn4)C(F)(F)F)C(=O)NC)C#N

Name:

tetraniliprole;
2-(3-chloropyridin-2-yl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-3-carboxamide

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).