BioLiP

PDB

BioLiP

PDB CCD ID:

LBH

Number of entries in BioLiP:

Chemical formula:

C21 H23 N3 O2

InChI:

InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+

InChIKey:

FPOHNWQLNRZRFC-ZHACJKMWSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1[nH]c2ccccc2c1CCNCc3ccc(/C=C/C(=O)NO)cc3
OpenEye OEToolkits 2.0.4	Cc1c(c2ccccc2[nH]1)CCNCc3ccc(cc3)/C=C/C(=O)NO
CACTVS 3.385	Cc1[nH]c2ccccc2c1CCNCc3ccc(C=CC(=O)NO)cc3
OpenEye OEToolkits 2.0.4	Cc1c(c2ccccc2[nH]1)CCNCc3ccc(cc3)C=CC(=O)NO

Name:

Panobinostat

ChEMBL:

CHEMBL483254

DrugBank:

DB06603

ZINC:

ZINC000022010649

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).