BioLiP

PDB

BioLiP

PDB CCD ID:

2BC

Number of entries in BioLiP:

Chemical formula:

C18 H12 Br2 N2 O3

InChI:

InChI=1S/C18H12Br2N2O3/c19-14-8-13(16(23)15(20)17(14)24)9-21-22-18(25)12-6-5-10-3-1-2-4-11(10)7-12/h1-9,23-24H,(H,22,25)/b21-9+

InChIKey:

LVLHTGJPIBVDTM-ZVBGSRNCSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc2cc(ccc2c1)C(=O)NN=Cc3cc(c(c(c3O)Br)O)Br
CACTVS 3.341	Oc1c(Br)cc(/C=N/NC(=O)c2ccc3ccccc3c2)c(O)c1Br
CACTVS 3.341	Oc1c(Br)cc(C=NNC(=O)c2ccc3ccccc3c2)c(O)c1Br
ACDLabs 10.04	Brc1cc(c(O)c(Br)c1O)\C=N\NC(=O)c3cc2ccccc2cc3
OpenEye OEToolkits 1.5.0	c1ccc2cc(ccc2c1)C(=O)N/N=C/c3cc(c(c(c3O)Br)O)Br

Name:

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

ChEMBL:

CHEMBL492513

DrugBank:

DB06949

ZINC:

ZINC000040422706

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).