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Murcko scaffold

Ring system with 3 rings and 54 atoms

22 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
54
Chemicals
22
With full pages
4
Scaffold SMILES

O=C(CCc1ccccc1)NCC(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCCC1

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)NCC(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCCC1

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

Dynorphin amide (1-10) chemical structure, C57H92N20O11, CAS 79985-49-2
Dynorphin amide (1-10)
CAS 79985-49-2C57H92N20O11
Dynorphin (1-11) chemical structure, C63H103N21O13, CAS 79985-34-5
Dynorphin (1-11)
CAS 79985-34-5C63H103N21O13
Dynorphin (1-11), ala(2)- chemical structure, C64H105N21O13, CAS 75491-15-5
Dynorphin (1-11), ala(2)-
CAS 75491-15-5C64H105N21O13
(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-[(2S)-1,6-diamino-1-oxohexan-2-yl]pyrrolidine-2-carboxamide chemical structure, C64H106N22O12
(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-[(2S)-1,6-diamino-1-oxohexan-2-yl]pyrrolidine-2-carboxamide
C64H106N22O12
[D-Pro10]dynorphin A(1-11) chemical structure, C63H103N21O13, CAS 94596-26-6
[D-Pro10]dynorphin A(1-11)
CAS 94596-26-6C63H103N21O13
Dynorphin A (1-11) amide chemical structure, C63H104N22O12, CAS 79985-48-1
Dynorphin A (1-11) amide
CAS 79985-48-1C63H104N22O12
Dynorphin A (1-10) acetate salt chemical structure, C57H91N19O12, CAS 79994-24-4
Dynorphin A (1-10) acetate salt
CAS 79994-24-4C57H91N19O12
Dynorphin (1-13) chemical structure, C75H126N24O15, CAS 72957-38-1
Dynorphin (1-13)
CAS 72957-38-1C75H126N24O15
Dafphedyn chemical structure, C76H124F5N25O14, CAS 111846-43-6
Dafphedyn
CAS 111846-43-6C76H124F5N25O14
Dynorphin (1-12) chemical structure, C69H114N22O14, CAS 79985-35-6
Dynorphin (1-12)
CAS 79985-35-6C69H114N22O14
Dynorphin A (1-13) amide chemical structure, C75H127N25O14, CAS 79515-34-7
Dynorphin A (1-13) amide
CAS 79515-34-7C75H127N25O14
H-Tyr-gly-gly-phe-leu-D-arg-arg-ile-arg-pro-lys-leu-lys-OH chemical structure, C75H126N24O15, CAS 75921-87-8
H-Tyr-gly-gly-phe-leu-D-arg-arg-ile-arg-pro-lys-leu-lys-OH
CAS 75921-87-8C75H126N24O15
H-Tyr-gly-gly-phe-leu-arg-arg-D-arg-arg-pro-lys-leu-lys-OH chemical structure, C75H127N27O15, CAS 125357-12-2
H-Tyr-gly-gly-phe-leu-arg-arg-D-arg-arg-pro-lys-leu-lys-OH
CAS 125357-12-2C75H127N27O15
Dakli chemical structure, C82H141N31O15, CAS 118428-10-7
Dakli
CAS 118428-10-7C82H141N31O15
C87H149N31O17 chemical structure, C87H149N31O17, CAS 128551-38-2
C87H149N31O17
CAS 128551-38-2C87H149N31O17
Dynorphin A (1-10)-Gly-chloromethylketone Trifluoroacetate chemical structure, C62H96ClF3N20O14, CAS 189002-98-0
Dynorphin A (1-10)-Gly-chloromethylketone Trifluoroacetate
CAS 189002-98-0C62H96ClF3N20O14
H-Tyr-Gly-D-Ala-Phe-Leu-Arg-Arg-Ile-Arg-Pro-Lys-NH2 chemical structure, C66H107F3N22O14, CAS 160522-58-7
H-Tyr-Gly-D-Ala-Phe-Leu-Arg-Arg-Ile-Arg-Pro-Lys-NH2
CAS 160522-58-7C66H107F3N22O14
H-DL-Tyr-Gly-Gly-DL-Phe-DL-Leu-DL-Arg-DL-Arg-DL-xiIle-DL-Arg-DL-Pro-Gly-CH2Cl.TFA chemical structure, C62H96ClF3N20O14
H-DL-Tyr-Gly-Gly-DL-Phe-DL-Leu-DL-Arg-DL-Arg-DL-xiIle-DL-Arg-DL-Pro-Gly-CH2Cl.TFA
C62H96ClF3N20O14
H-Tyr-D-Ala-Gly-Phe-Leu-D-Arg-Arg-Ile-Arg-Pro-Lys-Leu-Lys-OH chemical structure, C76H128N24O15, CAS 75921-88-9
H-Tyr-D-Ala-Gly-Phe-Leu-D-Arg-Arg-Ile-Arg-Pro-Lys-Leu-Lys-OH
CAS 75921-88-9C76H128N24O15
Dynorphin A (1-13) acetate chemical structure, C77H129N23O17, CAS 122265-09-2
Dynorphin A (1-13) acetate
CAS 122265-09-2C77H129N23O17
H-Tyr-D-Ala-Gly-Phe-Leu-Arg-Arg-Ile-Arg-Pro-Lys-Leu-Lys-NH2 chemical structure, C76H129N25O14, CAS 79985-43-6
H-Tyr-D-Ala-Gly-Phe-Leu-Arg-Arg-Ile-Arg-Pro-Lys-Leu-Lys-NH2
CAS 79985-43-6C76H129N25O14
Dynorphin A (1-13) amide trifluoroacetate salt H-Tyr-Gly-Gly-Phe-Leu-Arg-Arg-Ile-Arg-Pro-Lys-Leu-Lys-NH2 trifluoroacetate salt chemical structure, C75H127N25O14
Dynorphin A (1-13) amide trifluoroacetate salt H-Tyr-Gly-Gly-Phe-Leu-Arg-Arg-Ile-Arg-Pro-Lys-Leu-Lys-NH2 trifluoroacetate salt
C75H127N25O14