SB-3CT   Click here for help

GtoPdb Ligand ID: 9509

Synonyms: inhibitor 1 (Brown et al., 2000) [1]
Compound class: Synthetic organic
Comment: SB-3CT is a dual MMP2/MMP9 inhibitor [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 51.75
Molecular weight 306.04
XLogP 3.59
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=S(=O)(c1ccc(cc1)Oc1ccccc1)CC1SC1
Isomeric SMILES O=S(=O)(c1ccc(cc1)Oc1ccccc1)CC1SC1
InChI InChI=1S/C15H14O3S2/c16-20(17,11-14-10-19-14)15-8-6-13(7-9-15)18-12-4-2-1-3-5-12/h1-9,14H,10-11H2
InChI Key LSONWRHLFZYHIN-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[[4-(phenoxy)phenyl]sulfonylmethyl]thiirane
Synonyms Click here for help
inhibitor 1 (Brown et al., 2000) [1]
Database Links Click here for help
BindingDB Ligand 50264809
CAS Registry No. 292605-14-2 (source: PubChem)
ChEMBL Ligand CHEMBL483857
GtoPdb PubChem SID 329968448
PubChem CID 9883002
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Tocris
SB 3CT
Cat. No. 6088