BioLiP

PDB

BioLiP

PDB CCD ID:

A1D6K

Number of entries in BioLiP:

Chemical formula:

C19 H18 Cl N3 O4

InChI:

InChI=1S/C19H18ClN3O4/c1-25-19(24)23(26-2)17-6-4-3-5-14(17)13-27-18-11-12-22(21-18)16-9-7-15(20)8-10-16/h3-12H,13H2,1-2H3

InChIKey:

HZRSNVGNWUDEFX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COC(=O)N(c1ccccc1COc2ccn(n2)c3ccc(cc3)Cl)OC
CACTVS 3.385	CON(C(=O)OC)c1ccccc1COc2ccn(n2)c3ccc(Cl)cc3

Name:

methyl ~{N}-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-~{N}-methoxy-carbamate;
Pyraclostrobin

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).