CompoundList
Sign in
Murcko scaffold

Ring system with 3 rings and 35 atoms

22 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
35
Chemicals
22
With full pages
6
Scaffold SMILES

O=C1CCOC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN2CCCC(NC(=O)CN1)C2=O

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=C1CCOC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CN2CCCC(NC(=O)CN1)C2=O

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 22 of 22 chemicals

Tasipeptin B chemical structure, C40H62N6O9, CAS 546123-47-1
Tasipeptin B
CAS 546123-47-1C40H62N6O9
Tasipeptin A chemical structure, C45H71N7O10, CAS 546123-46-0
Tasipeptin A
CAS 546123-46-0C45H71N7O10
Pompanopeptin A chemical structure, C46H73BrN10O12S, CAS 1029262-70-1
Pompanopeptin A
CAS 1029262-70-1C46H73BrN10O12S
Kempopeptin B chemical structure, C46H73BrN8O11, CAS 1051915-46-8
Kempopeptin B
CAS 1051915-46-8C46H73BrN8O11
N-[(2S,5S,8S,11R,12S,15S,18S,21R)-15-(3-Carbamimidamidopropyl)-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-(propan-2-yl)-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl]-N~2~-hexanoyl-L-alpha-glutamine chemical structure, C47H74N10O13, CAS 914606-79-4
N-[(2S,5S,8S,11R,12S,15S,18S,21R)-15-(3-Carbamimidamidopropyl)-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-(propan-2-yl)-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl]-N~2~-hexanoyl-L-alpha-glutamine
CAS 914606-79-4C47H74N10O13
Symplocamide A chemical structure, C46H71BrN10O13, CAS 1007391-44-7
Symplocamide A
CAS 1007391-44-7C46H71BrN10O13
N-[15-(3-Carbamimidamidopropyl)-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-(propan-2-yl)-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl]-N~2~-octanoyl-alpha-glutamine chemical structure, C49H78N10O13, CAS 790689-45-1
N-[15-(3-Carbamimidamidopropyl)-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-(propan-2-yl)-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl]-N~2~-octanoyl-alpha-glutamine
CAS 790689-45-1C49H78N10O13
Micropeptin MZ939A chemical structure, C41H65N9O14S, CAS 1207348-72-8
Micropeptin MZ939A
CAS 1207348-72-8C41H65N9O14S
Micropeptin MZ925 chemical structure, C40H63N9O14S, CAS 1207348-74-0
Micropeptin MZ925
CAS 1207348-74-0C40H63N9O14S
Micropeptin MZ771 chemical structure, C38H61N9O8, CAS 1207348-80-8
Micropeptin MZ771
CAS 1207348-80-8C38H61N9O8
Cyanopeptolin SS chemical structure, C40H63N9O17S2, CAS 914606-74-9
Cyanopeptolin SS
CAS 914606-74-9C40H63N9O17S2
Micropeptin 478-A chemical structure, C41H64ClN9O14S, CAS 186368-49-0
Micropeptin 478-A
CAS 186368-49-0C41H64ClN9O14S
Micropeptin 478-B chemical structure, C41H64ClN9O17S2, CAS 186368-51-4
Micropeptin 478-B
CAS 186368-51-4C41H64ClN9O17S2
LM-030 chemical structure, C46H72N8O12, CAS 1122484-55-2
LM-030
CAS 1122484-55-2C46H72N8O12
3-{[(2S,5S,8S,11R,12S,15S,18S,21R)-5-Benzyl-2-[(2S)-butan-2-yl]-15-(3-carbamimidamidopropyl)-21-hydroxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-(propan-2-yl)-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl]amino}-2-hydroxy-3-oxopropyl hydrogen sulfate chemical structure, C39H61N9O14S, CAS 1481598-49-5
3-{[(2S,5S,8S,11R,12S,15S,18S,21R)-5-Benzyl-2-[(2S)-butan-2-yl]-15-(3-carbamimidamidopropyl)-21-hydroxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-(propan-2-yl)-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl]amino}-2-hydroxy-3-oxopropyl hydrogen sulfate
CAS 1481598-49-5C39H61N9O14S
Cyanopeptolin D chemical structure, C48H76N8O12, CAS 152839-31-1
Cyanopeptolin D
CAS 152839-31-1C48H76N8O12
Cyanopeptolin B chemical structure, C46H72N8O12, CAS 152839-29-7
Cyanopeptolin B
CAS 152839-29-7C46H72N8O12
Cyanopeptolin C chemical structure, C47H74N8O12, CAS 152839-30-0
Cyanopeptolin C
CAS 152839-30-0C47H74N8O12
Scyptolin A chemical structure, C45H69ClN8O14, CAS 403479-62-9
Scyptolin A
CAS 403479-62-9C45H69ClN8O14
Scyptolin B chemical structure, C52H80ClN9O16, CAS 403479-63-0
Scyptolin B
CAS 403479-63-0C52H80ClN9O16
Cyanopeptolin A chemical structure, C46H72N10O12, CAS 152839-28-6
Cyanopeptolin A
CAS 152839-28-6C46H72N10O12
Micropeptin B chemical structure, C47H74N8O13, CAS 153150-76-6
Micropeptin B
CAS 153150-76-6C47H74N8O13