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Murcko scaffold

Ring system with 5 rings and 48 atoms

30 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
48
Chemicals
30
With full pages
6
Scaffold SMILES

O=C1CNC(=O)CNC(=O)C2Cc3c([nH]c4ccccc34)S(=O)CC(NC(=O)CN1)C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)N2

A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.

Substructure search with this scaffold
Murcko scaffold O=C1CNC(=O)CNC(=O)C2Cc3c([nH]c4ccccc34)S(=O)CC(NC(=O)CN1)C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)N2

Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.

Chemicals with this scaffold

Open one to see its structure, properties and suppliers.

Showing 1 to 30 of 30 chemicals

epsilon-Amanitin chemical structure, C39H53N9O14S, CAS 21705-02-2
epsilon-Amanitin
CAS 21705-02-2C39H53N9O14S
Amanullin chemical structure, C39H54N10O12S, CAS 21803-57-6
Amanullin
CAS 21803-57-6C39H54N10O12S
6'-O-Methyl alpha-amanitin chemical structure, C40H56N10O14S, CAS 21150-19-6
6'-O-Methyl alpha-amanitin
CAS 21150-19-6C40H56N10O14S
2-Methyl-demethyl gamma-amanitin chemical structure, C39H54N10O13S, CAS 29030-16-8
2-Methyl-demethyl gamma-amanitin
CAS 29030-16-8C39H54N10O13S
Proamanullin chemical structure, C39H54N10O11S, CAS 54532-46-6
Proamanullin
CAS 54532-46-6C39H54N10O11S
alpha-Amanitin, 4-(6-hydroxy-7-iodo-2-mercapto-L-tryptophan)- chemical structure, C39H53IN10O14S, CAS 66185-10-2
alpha-Amanitin, 4-(6-hydroxy-7-iodo-2-mercapto-L-tryptophan)-
CAS 66185-10-2C39H53IN10O14S
alpha-Amanitin, 4-(6-ethoxy-2-mercapto-L-tryptophan)- chemical structure, C41H58N10O14S, CAS 79513-23-8
alpha-Amanitin, 4-(6-ethoxy-2-mercapto-L-tryptophan)-
CAS 79513-23-8C41H58N10O14S
alpha-Amanitin, 4-(6-((5-carboxypentyl)oxy)-2-mercapto-L-tryptophan)- chemical structure, C45H64N10O16S, CAS 79513-29-4
alpha-Amanitin, 4-(6-((5-carboxypentyl)oxy)-2-mercapto-L-tryptophan)-
CAS 79513-29-4C45H64N10O16S
alpha-Amanitin, 4-(6-((6-((2-(((1,1-dimethylethoxy)carbonyl)amino)ethyl)amino)-6-oxohexyl)oxy)-2-mercapto-L-tryptophan)- chemical structure, C52H78N12O17S, CAS 79513-33-0
alpha-Amanitin, 4-(6-((6-((2-(((1,1-dimethylethoxy)carbonyl)amino)ethyl)amino)-6-oxohexyl)oxy)-2-mercapto-L-tryptophan)-
CAS 79513-33-0C52H78N12O17S
Alpha-amanitin, 4-(6-(decyloxy)-2-mercapto-l-tryptophan)- chemical structure, C49H74N10O14S, CAS 79513-21-6
Alpha-amanitin, 4-(6-(decyloxy)-2-mercapto-l-tryptophan)-
CAS 79513-21-6C49H74N10O14S
alpha-Amanitin, 4-(2-mercapto-6-propoxy-L-tryptophan)- chemical structure, C42H60N10O14S, CAS 79513-24-9
alpha-Amanitin, 4-(2-mercapto-6-propoxy-L-tryptophan)-
CAS 79513-24-9C42H60N10O14S
alpha-Amanitin, 4-(2-mercapto-6-(2-propen-1-yloxy)-L-tryptophan)- chemical structure, C42H58N10O14S, CAS 79513-25-0
alpha-Amanitin, 4-(2-mercapto-6-(2-propen-1-yloxy)-L-tryptophan)-
CAS 79513-25-0C42H58N10O14S
alpha-Amanitin, 4-(2-mercapto-6-(2-oxopropoxy)-L-tryptophan)- chemical structure, C42H58N10O15S, CAS 79513-27-2
alpha-Amanitin, 4-(2-mercapto-6-(2-oxopropoxy)-L-tryptophan)-
CAS 79513-27-2C42H58N10O15S
alpha-Amanitin, 4-(6-(2-hydroxypropoxy)-2-mercapto-L-tryptophan)- chemical structure, C42H60N10O15S, CAS 79513-28-3
alpha-Amanitin, 4-(6-(2-hydroxypropoxy)-2-mercapto-L-tryptophan)-
CAS 79513-28-3C42H60N10O15S
alpha-Amanitin, 4-(6-((6-((2-aminoethyl)amino)-6-oxohexyl)oxy)-2-mercapto-L-tryptophan)-, mono(trifluoroacetate) (salt) chemical structure, C49H71F3N12O17S, CAS 79513-31-8
alpha-Amanitin, 4-(6-((6-((2-aminoethyl)amino)-6-oxohexyl)oxy)-2-mercapto-L-tryptophan)-, mono(trifluoroacetate) (salt)
CAS 79513-31-8C49H71F3N12O17S
alpha-Amanitin, 4-(6-((6-((2-((3-carboxy-1-oxopropyl)amino)ethyl)amino)-6-oxohexyl)oxy)-2-mercapto-L-tryptophan)- chemical structure, C51H74N12O18S, CAS 79513-32-9
alpha-Amanitin, 4-(6-((6-((2-((3-carboxy-1-oxopropyl)amino)ethyl)amino)-6-oxohexyl)oxy)-2-mercapto-L-tryptophan)-
CAS 79513-32-9C51H74N12O18S
alpha-Amanitin, 4-(2-mercapto-6-methoxy-1-methyl-L-tryptophan)- chemical structure, C41H58N10O14S, CAS 79513-34-1
alpha-Amanitin, 4-(2-mercapto-6-methoxy-1-methyl-L-tryptophan)-
CAS 79513-34-1C41H58N10O14S
alpha-Amanitin, 4-(6-(hexyloxy)-2-mercapto-L-tryptophan)- chemical structure, C45H66N10O14S, CAS 79513-36-3
alpha-Amanitin, 4-(6-(hexyloxy)-2-mercapto-L-tryptophan)-
CAS 79513-36-3C45H66N10O14S
C39H54N10O14S chemical structure, C39H54N10O14S, CAS 11000-43-4
C39H54N10O14S
CAS 11000-43-4C39H54N10O14S
alpha-Amanitin, 1-L-aspartic acid-4-(2-mercapto-6-methoxy-L-tryptophan)-, 11-oxide chemical structure, C40H55N9O15S, CAS 101692-40-4
alpha-Amanitin, 1-L-aspartic acid-4-(2-mercapto-6-methoxy-L-tryptophan)-, 11-oxide
CAS 101692-40-4C40H55N9O15S
alpha-Amanitin, 1-L-aspartic acid-3-((R)-4-hydroxy-L-valine)-4-(2-mercapto-6-methoxy-L-tryptophan)- chemical structure, C39H53N9O14S, CAS 81558-12-5
alpha-Amanitin, 1-L-aspartic acid-3-((R)-4-hydroxy-L-valine)-4-(2-mercapto-6-methoxy-L-tryptophan)-
CAS 81558-12-5C39H53N9O14S
alpha-Amanitin chemical structure, C39H54N10O14S, CAS 23109-05-9
alpha-Amanitin
CAS 23109-05-9C39H54N10O14S
2-[(1R,4S,10S,13S,16S,34S)-34-Butan-2-yl-13-[(2R,3S)-3,4-dihydroxybutan-2-yl]-8,22-dihydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetic acid chemical structure, C39H53N9O15S, CAS 13567-07-2
2-[(1R,4S,10S,13S,16S,34S)-34-Butan-2-yl-13-[(2R,3S)-3,4-dihydroxybutan-2-yl]-8,22-dihydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetic acid
CAS 13567-07-2C39H53N9O15S
Amanitin chemical structure, C39H54N10O14S, CAS 11030-71-0
Amanitin
CAS 11030-71-0C39H54N10O14S