LP99   Click here for help

GtoPdb Ligand ID: 8572

Synonyms: compound 60 [PMID: 25864491]
PDB Ligand
Compound class: Synthetic organic
Comment: LP99 is a selective inhibitor of the bromodomain-containing proteins BRD7 and BRD9 [1], proteins which participate in chromatin remodelling as part of the SWI/SNF complex. LP99 is a novel and useful chemical probe for investigating BRD7/9 function. This is a compound from the Structural Genomics Consortium's (SGC) Epigenetics Probes Collection.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 96.86
Molecular weight 515.16
XLogP 5.38
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES Clc1ccc(cc1)C1C(CCC(=O)N1c1ccc2c(c1)n(C)c(=O)cc2C)NS(=O)(=O)CC(C)C
Isomeric SMILES Clc1ccc(cc1)[C@@H]1[C@H](CCC(=O)N1c1ccc2c(c1)n(C)c(=O)cc2C)NS(=O)(=O)CC(C)C
InChI InChI=1S/C26H30ClN3O4S/c1-16(2)15-35(33,34)28-22-11-12-24(31)30(26(22)18-5-7-19(27)8-6-18)20-9-10-21-17(3)13-25(32)29(4)23(21)14-20/h5-10,13-14,16,22,26,28H,11-12,15H2,1-4H3/t22-,26+/m0/s1
InChI Key LVDRREOUMKACNJ-BKMJKUGQSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[(2R,3S)-2-(4-chlorophenyl)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxopiperidin-3-yl]-2-methylpropane-1-sulfonamide
Synonyms Click here for help
compound 60 [PMID: 25864491]
Database Links Click here for help
GtoPdb PubChem SID 252166773
PubChem CID 91827372
RCSB PDB Ligand 6B2
Search Google for chemical match using the InChIKey LVDRREOUMKACNJ-BKMJKUGQSA-N
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SynPHARM 82362 (in complex with bromodomain containing 9)

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Tocris
LP 99
Cat. No. 5496