BioLiP

PDB

BioLiP

PDB CCD ID:

2RB

Number of entries in BioLiP:

Chemical formula:

C15 H12 Br2 N2 O4

InChI:

InChI=1S/C15H12Br2N2O4/c1-23-10-4-2-8(3-5-10)15(22)19-18-7-9-6-11(16)14(21)12(17)13(9)20/h2-7,20-21H,1H3,(H,19,22)/b18-7+

InChIKey:

BMGXNERTVNWBJG-CNHKJKLMSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	COc1ccc(cc1)C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br
ACDLabs 10.04	Brc1cc(c(O)c(Br)c1O)\C=N\NC(=O)c2ccc(OC)cc2
OpenEye OEToolkits 1.5.0	COc1ccc(cc1)C(=O)NN=Cc2cc(c(c(c2O)Br)O)Br
CACTVS 3.341	COc1ccc(cc1)C(=O)NN=Cc2cc(Br)c(O)c(Br)c2O
CACTVS 3.341	COc1ccc(cc1)C(=O)N\N=C\c2cc(Br)c(O)c(Br)c2O

Name:

N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-4-methoxybenzohydrazide

ChEMBL:

CHEMBL492514

DrugBank:

DB06978

ZINC:

ZINC000009190152

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).