SR1001

Ligand id: 10143

Name: SR1001

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 145.01
Molecular weight 477.03
XLogP 2.54
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[5-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]sulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide
Synonyms
SR-1001
Comments
SR1001 is a synthetic retinoic-acid-receptor-related orphan receptor (ROR) modulator [2]. Its interaction with the ligand binding sites of RORα and RORγt induces conformational changes in these receptors that alter co-activator/co-repressor binding affinity, and which lead to suppression of the receptors' transcriptional activity. Chemically SR1001 is a derivative of the liver X receptor ligand T0901317, which has been shown to act as an inverse agonist of RORα and RORγ [1].
Database Links
BindingDB Ligand 50444338
CAS Registry No. 1335106-03-0 (source: PubChem)
ChEMBL Ligand CHEMBL3094388
GtoPdb PubChem SID 381118853
PubChem CID 44241473
Search Google for chemical match using the InChIKey OZBSSKGBKHOLGA-UHFFFAOYSA-N
Search Google for chemicals with the same backbone OZBSSKGBKHOLGA
Search UniChem for chemical match using the InChIKey OZBSSKGBKHOLGA-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone OZBSSKGBKHOLGA

Product suppliers

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Tocris
SR 1001
Cat. No. 4868