BioLiP

PDB

BioLiP

PDB CCD ID:

A1EE4

Number of entries in BioLiP:

Chemical formula:

C16 H16 Cl3 F2 N3 O2

InChI:

InChI=1S/C16H16Cl3F2N3O2/c1-8(4-10-12(18)5-9(17)6-13(10)19)24(26-3)16(25)11-7-23(2)22-14(11)15(20)21/h5-8,15H,4H2,1-3H3/t8-/m0/s1

InChIKey:

DGOAXBPOVUPPEB-QMMMGPOBSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CON([CH](C)Cc1c(Cl)cc(Cl)cc1Cl)C(=O)c2cn(C)nc2C(F)F
OpenEye OEToolkits 2.0.7	CC(Cc1c(cc(cc1Cl)Cl)Cl)N(C(=O)c2cn(nc2C(F)F)C)OC
CACTVS 3.385	CON([C@@H](C)Cc1c(Cl)cc(Cl)cc1Cl)C(=O)c2cn(C)nc2C(F)F
OpenEye OEToolkits 2.0.7	C[C@@H](Cc1c(cc(cc1Cl)Cl)Cl)N(C(=O)c2cn(nc2C(F)F)C)OC

Name:

Pydiflumetofen;
WHG7I49FAK

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).