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Murcko scaffold

Ring system with 2 rings and 18 atoms

23 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
18
Chemicals
23
With full pages
2
Scaffold SMILES

O=C(CCc1ccccc1)NCCc1cnc[nH]1

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=C(CCc1ccccc1)NCCc1cnc[nH]1

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 23 of 23 chemicals

L-Lysine, N2-(N2-(N-L-tyrosyl-L-histidyl)-L-lysyl)-4 chemical structure, C27H42N8O6, CAS 79590-52-6
L-Lysine, N2-(N2-(N-L-tyrosyl-L-histidyl)-L-lysyl)-4
CAS 79590-52-6C27H42N8O6
N-(tert-Butoxycarbonyl)-L-phenylalanyl-N-[(4S,5R,6R,7R)-5,6-dihydroxy-2,8-dimethyl-7-{[(2S)-2-methylbutyl]carbamoyl}nonan-4-yl]-L-histidinamide chemical structure, C37H60N6O7, CAS 107600-10-2
N-(tert-Butoxycarbonyl)-L-phenylalanyl-N-[(4S,5R,6R,7R)-5,6-dihydroxy-2,8-dimethyl-7-{[(2S)-2-methylbutyl]carbamoyl}nonan-4-yl]-L-histidinamide
CAS 107600-10-2C37H60N6O7
Tyr-His chemical structure, C15H18N4O4, CAS 3788-44-1
Tyr-His
CAS 3788-44-1C15H18N4O4
Phe-His chemical structure, C15H18N4O3, CAS 33367-37-2
Phe-His
CAS 33367-37-2C15H18N4O3
(2S)-2-[[(2S)-2-(Ethoxycarbonylamino)-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid chemical structure, C18H22N4O5, CAS 114346-47-3
(2S)-2-[[(2S)-2-(Ethoxycarbonylamino)-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CAS 114346-47-3C18H22N4O5
3-(1H-Imidazol-4-yl)-2-(3-phenylpropanamido)propanoic acid chemical structure, C15H17N3O3, CAS 1396972-76-1
3-(1H-Imidazol-4-yl)-2-(3-phenylpropanamido)propanoic acid
CAS 1396972-76-1C15H17N3O3
N-[2-(1H-Imidazol-5-yl)ethyl]-3-(4-methoxyphenyl)propanamide chemical structure, C15H19N3O2, CAS 903591-31-1
N-[2-(1H-Imidazol-5-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CAS 903591-31-1C15H19N3O2
N-[(3S)-3-Amino-1-oxo-3-phenylpropyl]-D-histidine chemical structure, C15H18N4O3, CAS 1000578-29-9
N-[(3S)-3-Amino-1-oxo-3-phenylpropyl]-D-histidine
CAS 1000578-29-9C15H18N4O3
(3-Phenylpropanoyl)-L-histidine chemical structure, C15H17N3O3, CAS 773803-94-4
(3-Phenylpropanoyl)-L-histidine
CAS 773803-94-4C15H17N3O3
3-(1H-Imidazol-4-yl)-2-(3-phenylpropanamido)propanoic acid hydrate chemical structure, C15H19N3O4, CAS 1396969-06-4
3-(1H-Imidazol-4-yl)-2-(3-phenylpropanamido)propanoic acid hydrate
CAS 1396969-06-4C15H19N3O4
Methyl 3-(1H-imidazol-4-yl)-2-(3-phenylpropanamido)propanoate chemical structure, C16H19N3O3, CAS 1397006-99-3
Methyl 3-(1H-imidazol-4-yl)-2-(3-phenylpropanamido)propanoate
CAS 1397006-99-3C16H19N3O3
L-Histidine, N-L-tyrosyl-, monohydrochloride chemical structure, C15H19ClN4O4, CAS 94111-42-9
L-Histidine, N-L-tyrosyl-, monohydrochloride
CAS 94111-42-9C15H19ClN4O4
L-Phenylalanyl-L-histidyl-L-leucine chemical structure, C21H29N5O4, CAS 28607-51-4
L-Phenylalanyl-L-histidyl-L-leucine
CAS 28607-51-4C21H29N5O4
L-Leucyl-L-phenylalanyl-L-histidine chemical structure, C21H29N5O4, CAS 192696-23-4
L-Leucyl-L-phenylalanyl-L-histidine
CAS 192696-23-4C21H29N5O4
L-Tyrosyl-L-histidylglycyl-L-threonyl-L-alanyl-L-aspartic acid chemical structure, C28H38N8O11, CAS 652143-15-2
L-Tyrosyl-L-histidylglycyl-L-threonyl-L-alanyl-L-aspartic acid
CAS 652143-15-2C28H38N8O11
N~5~-(Diaminomethylidene)-L-ornithyl-L-threonyl-N~5~-(diaminomethylidene)-L-ornithyl-L-seryl-L-leucyl-L-phenylalanyl-L-histidine chemical structure, C40H65N15O10, CAS 797031-99-3
N~5~-(Diaminomethylidene)-L-ornithyl-L-threonyl-N~5~-(diaminomethylidene)-L-ornithyl-L-seryl-L-leucyl-L-phenylalanyl-L-histidine
CAS 797031-99-3C40H65N15O10
L-Leucyl-L-tyrosyl-L-histidyl-L-methionyl-L-aspartic acid chemical structure, C30H43N7O9S, CAS 827301-47-3
L-Leucyl-L-tyrosyl-L-histidyl-L-methionyl-L-aspartic acid
CAS 827301-47-3C30H43N7O9S
N~5~-(Diaminomethylidene)-L-ornithyl-L-tyrosyl-L-histidyl-L-methionyl-L-glutamic acid chemical structure, C31H46N10O9S, CAS 827300-46-9
N~5~-(Diaminomethylidene)-L-ornithyl-L-tyrosyl-L-histidyl-L-methionyl-L-glutamic acid
CAS 827300-46-9C31H46N10O9S
b-Bag Cell Peptide (Aplysia californica) chemical structure, C33H53N13O6, CAS 109024-47-7
b-Bag Cell Peptide (Aplysia californica)
CAS 109024-47-7C33H53N13O6
L-Lysine, L-isoleucylglycyl-L-seryl-L-I+/--glutamyl-L-valyl-L-tyrosyl-L-histidyl-L-asparaginyl-L-leucyl- chemical structure, C52H82N14O16, CAS 455942-51-5
L-Lysine, L-isoleucylglycyl-L-seryl-L-I+/--glutamyl-L-valyl-L-tyrosyl-L-histidyl-L-asparaginyl-L-leucyl-
CAS 455942-51-5C52H82N14O16
H-Arg-Gln-Asp-Arg-Val-Phe-His-Ser-Arg-Asn-Ser-Ile-OH chemical structure, C63H103N25O19, CAS 174063-90-2
H-Arg-Gln-Asp-Arg-Val-Phe-His-Ser-Arg-Asn-Ser-Ile-OH
CAS 174063-90-2C63H103N25O19
a-Helical corticotropin releasing factor (12-41) chemical structure, C154H252F3N43O49S2, CAS 158535-55-8
a-Helical corticotropin releasing factor (12-41)
CAS 158535-55-8C154H252F3N43O49S2
Ac-Arg-Ala-Asp-Ala-Arg-Ala-Asp-Ala-Arg-Ala-Asp-Ala-Arg-Ala-Asp-Ala-Gly-Gly-Phe-His-Arg-Arg-Ile-Lys-Ala-NH2 chemical structure, C112H187N47O34, CAS 1016899-40-3
Ac-Arg-Ala-Asp-Ala-Arg-Ala-Asp-Ala-Arg-Ala-Asp-Ala-Arg-Ala-Asp-Ala-Gly-Gly-Phe-His-Arg-Arg-Ile-Lys-Ala-NH2
CAS 1016899-40-3C112H187N47O34