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Murcko scaffold

Ring system with 3 rings and 26 atoms

25 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
26
Chemicals
25
With full pages
1
Scaffold SMILES

O=C(CCc1ccccc1)NCC(=O)NCCc1c[nH]c2ccccc12

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)NCCc1c[nH]c2ccccc12

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 25 of 25 chemicals

Acth (7-10) chemical structure, C28H36N8O5, CAS 51031-17-5
Acth (7-10)
CAS 51031-17-5C28H36N8O5
Tyrosyl-glutamyl-tryptophan chemical structure, C25H28N4O7, CAS 122409-30-7
Tyrosyl-glutamyl-tryptophan
CAS 122409-30-7C25H28N4O7
Ac-Phe-Arg-Trp-NH2 chemical structure, C28H36N8O4, CAS 119089-21-3
Ac-Phe-Arg-Trp-NH2
CAS 119089-21-3C28H36N8O4
Experimental Allergic Encephalitogenic Peptide (human) chemical structure, C46H64N14O14, CAS 29705-92-8
Experimental Allergic Encephalitogenic Peptide (human)
CAS 29705-92-8C46H64N14O14
(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,32S)-26-((1H-Indol-3-yl)methyl)-32-amino-17-(2-amino-2-oxoethyl)-23,29-bis(3-amino-3-oxopropyl)-8-(4-aminobutyl)-2,11,20-tris(3-guanidinopropyl)-5-isopropyl-14-(2-(methylthio)ethyl)-4,7,10,13,16,19,22,25,28,31-decaoxo-33-phenyl-3,6,9,12,15,18,21,24,27,30-decaazatritriacontan-1-oic acid chemical structure, C68H109N25O15S, CAS 175236-37-0
(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,32S)-26-((1H-Indol-3-yl)methyl)-32-amino-17-(2-amino-2-oxoethyl)-23,29-bis(3-amino-3-oxopropyl)-8-(4-aminobutyl)-2,11,20-tris(3-guanidinopropyl)-5-isopropyl-14-(2-(methylthio)ethyl)-4,7,10,13,16,19,22,25,28,31-decaoxo-33-phenyl-3,6,9,12,15,18,21,24,27,30-decaazatritriacontan-1-oic acid
CAS 175236-37-0C68H109N25O15S
L-Argininamide,L-phenylalanyl-L-glutaminyl-L-tryptophyl-L-glutaminyl-L-arginyl-L-asparaginyl-L-isoleucyl-L-arginyl-L-lysyl-L-valyl- chemical structure, C69H112N26O14, CAS 832729-13-2
L-Argininamide,L-phenylalanyl-L-glutaminyl-L-tryptophyl-L-glutaminyl-L-arginyl-L-asparaginyl-L-isoleucyl-L-arginyl-L-lysyl-L-valyl-
CAS 832729-13-2C69H112N26O14
N~5~-(Diaminomethylidene)-L-ornithyl-L-leucyl-L-tyrosyl-L-isoleucyl-L-tryptophyl-L-alanyl-L-leucine chemical structure, C47H71N11O9, CAS 581101-11-3
N~5~-(Diaminomethylidene)-L-ornithyl-L-leucyl-L-tyrosyl-L-isoleucyl-L-tryptophyl-L-alanyl-L-leucine
CAS 581101-11-3C47H71N11O9
Ac-arg-phe-met-trp-met-thr-nh2 chemical structure, C44H66N12O7S2, CAS 152274-67-4
Ac-arg-phe-met-trp-met-thr-nh2
CAS 152274-67-4C44H66N12O7S2
Ac-Arg-Phe-Met-Trp-Met-Arg-NH2 chemical structure, C44H66N14O7S2, CAS 152274-66-3
Ac-Arg-Phe-Met-Trp-Met-Arg-NH2
CAS 152274-66-3C44H66N14O7S2
N-Acetylglycyl-D-phenylalanyl-N~5~-(diaminomethylidene)-L-ornithyl-D-tryptophanamide chemical structure, C30H39N9O5, CAS 183238-34-8
N-Acetylglycyl-D-phenylalanyl-N~5~-(diaminomethylidene)-L-ornithyl-D-tryptophanamide
CAS 183238-34-8C30H39N9O5
N-Boc-Tyr-Ala-Trp-OMe chemical structure, C29H36N4O7, CAS 911675-66-6
N-Boc-Tyr-Ala-Trp-OMe
CAS 911675-66-6C29H36N4O7
[Ala113]-MBP (104-118) chemical structure, C67H104N20O19, CAS 99026-78-5
[Ala113]-MBP (104-118)
CAS 99026-78-5C67H104N20O19
[Ala107]-MBP (104-118) chemical structure, C67H104N20O19, CAS 99026-77-4
[Ala107]-MBP (104-118)
CAS 99026-77-4C67H104N20O19
L-Cysteinyl-L-phenylalanylglycyl-L-tryptophyl-L-asparagine chemical structure, C29H35N7O7S, CAS 497173-96-3
L-Cysteinyl-L-phenylalanylglycyl-L-tryptophyl-L-asparagine
CAS 497173-96-3C29H35N7O7S
Glycyl-L-phenylalanylglycyl-L-tryptophylglycine chemical structure, C26H30N6O6, CAS 60341-74-4
Glycyl-L-phenylalanylglycyl-L-tryptophylglycine
CAS 60341-74-4C26H30N6O6
D-Phenylalanyl-D-alanyl-D-tryptophylglycyl-D-alanine chemical structure, C28H34N6O6, CAS 644997-33-1
D-Phenylalanyl-D-alanyl-D-tryptophylglycyl-D-alanine
CAS 644997-33-1C28H34N6O6
L-Asparaginyl-L-seryl-L-valyl-L-tyrosyl-L-threonyl-L-tryptophyl-L-lysine chemical structure, C42H60N10O12, CAS 842953-11-1
L-Asparaginyl-L-seryl-L-valyl-L-tyrosyl-L-threonyl-L-tryptophyl-L-lysine
CAS 842953-11-1C42H60N10O12
Glycyl-L-phenylalanyl-L-seryl-L-tryptophyl-L-serine chemical structure, C28H34N6O8, CAS 825595-56-0
Glycyl-L-phenylalanyl-L-seryl-L-tryptophyl-L-serine
CAS 825595-56-0C28H34N6O8
Glycyl-L-tyrosyl-L-threonyl-L-tryptophyl-L-leucyl-L-glutamic acid chemical structure, C37H49N7O11, CAS 915193-17-8
Glycyl-L-tyrosyl-L-threonyl-L-tryptophyl-L-leucyl-L-glutamic acid
CAS 915193-17-8C37H49N7O11
Glycyl-L-tyrosyl-L-seryl-L-tryptophyl-L-leucyl-L-glutamic acid chemical structure, C36H47N7O11, CAS 915193-16-7
Glycyl-L-tyrosyl-L-seryl-L-tryptophyl-L-leucyl-L-glutamic acid
CAS 915193-16-7C36H47N7O11
2-[(2-Acetamido-3-phenyl-propanoyl)amino]-N-[2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-5-guanidino-pentanamide chemical structure, C28H36N8O4
2-[(2-Acetamido-3-phenyl-propanoyl)amino]-N-[2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-5-guanidino-pentanamide
C28H36N8O4
H-Tyr-Gly-Trp-OH chemical structure, C22H24N4O5, CAS 118643-55-3
H-Tyr-Gly-Trp-OH
CAS 118643-55-3C22H24N4O5
Acetalin-3 chemical structure, C42H61N11O8S2, CAS 152274-65-2
Acetalin-3
CAS 152274-65-2C42H61N11O8S2
H-Gly-Arg-Gly-Asp-Tyr-Ile-Trp-Ser-Leu-Asp-Thr-Gln-OH chemical structure, C62H91N17O21, CAS 1206525-47-4
H-Gly-Arg-Gly-Asp-Tyr-Ile-Trp-Ser-Leu-Asp-Thr-Gln-OH
CAS 1206525-47-4C62H91N17O21