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Ligand

NameAC1MTBBI
Molecular formulaC24H26N2O5S2
IUPAC name2-[[2-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
Molecular weight486.601
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.5
SynonymsMLS000936740
CHEMBL1393192
MolPort-003-029-848
HMS2913J11
AKOS001776815
[ Show all ]
Inchi KeyABQFVPXSRIYAGX-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H26N2O5S2/c1-16-5-9-18(10-6-16)22-26-23(33(28,29)20-11-7-17(2)8-12-20)24(31-22)32-15-21(27)25-14-19-4-3-13-30-19/h5-12,19H,3-4,13-15H2,1-2H3,(H,25,27)
PubChem CID3597887
ChEMBLCHEMBL1393192
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
1076Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757

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