SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C15 H16 Cl3 N3 O2

InChI:

InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3

InChIKey:

TVLSRXXIMLFWEO-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n2ccnc2
OpenEye OEToolkits 2.0.4	CCCN(CCOc1c(cc(cc1Cl)Cl)Cl)C(=O)n2ccnc2

Name:

Prochloraz;
~{N}-propyl-~{N}-[2-[2,4,6-tris(chloranyl)phenoxy]ethyl]imidazole-1-carboxamide

ChEMBL:

ZINC:

ZINC000000967735

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).