BioLiP

PDB

BioLiP

PDB CCD ID:

1SB

Number of entries in BioLiP:

Chemical formula:

C16 H16 N2 O3

InChI:

InChI=1S/C16H16N2O3/c1-21-15-4-2-3-13(9-15)10-16(20)18-17-11-12-5-7-14(19)8-6-12/h2-9,11,19H,10H2,1H3,(H,18,20)/b17-11+

InChIKey:

MRDUCOTYVMACNC-GZTJUZNOSA-N

SMILES:

Software	SMILES
CACTVS 3.370	COc1cccc(CC(=O)N\N=C\c2ccc(O)cc2)c1
ACDLabs 12.01	O=C(N/N=C/c1ccc(O)cc1)Cc2cc(OC)ccc2
OpenEye OEToolkits 1.7.0	COc1cccc(c1)CC(=O)NN=Cc2ccc(cc2)O
CACTVS 3.370	COc1cccc(CC(=O)NN=Cc2ccc(O)cc2)c1
OpenEye OEToolkits 1.7.0	COc1cccc(c1)CC(=O)N/N=C/c2ccc(cc2)O

Name:

N'-[(1E)-(4-hydroxyphenyl)methylidene]-2-(3-methoxyphenyl)acetohydrazide

ZINC:

ZINC000095921339

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).