BioLiP

PDB

BioLiP

PDB CCD ID:

38D

Number of entries in BioLiP:

Chemical formula:

C14 H10 Cl2 N2 O3

InChI:

InChI=1S/C14H10Cl2N2O3/c15-10-3-1-9(11(16)6-10)7-17-18-14(21)8-2-4-12(19)13(20)5-8/h1-7,19-20H,(H,18,21)/b17-7+

InChIKey:

ISRFJSGSMHRMSJ-REZTVBANSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	c1cc(c(cc1C(=O)NN=Cc2ccc(cc2Cl)Cl)O)O
OpenEye OEToolkits 1.9.2	c1cc(c(cc1C(=O)N/N=C/c2ccc(cc2Cl)Cl)O)O
CACTVS 3.385	Oc1ccc(cc1O)C(=O)N\N=C\c2ccc(Cl)cc2Cl
CACTVS 3.385	Oc1ccc(cc1O)C(=O)NN=Cc2ccc(Cl)cc2Cl
ACDLabs 12.01	Clc2cc(Cl)ccc2/C=N/NC(=O)c1ccc(O)c(O)c1

Name:

N'-[(E)-(2,4-dichlorophenyl)methylidene]-3,4-dihydroxybenzohydrazide

ChEMBL:

CHEMBL2094666

ZINC:

ZINC000000095675

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).