Murcko scaffold
Ring system with 3 rings and 22 atoms
39 chemicals on CompoundList share this ring system.
- Rings
- 3
- Scaffold atoms
- 22
- Chemicals
- 39
- With full pages
- 4
Scaffold SMILES
O=C(CCc1c[nH]c2ccccc12)NCCc1ccccc1
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.
![Murcko scaffold O=C(CCc1c[nH]c2ccccc12)NCCc1ccccc1](/scaffold/WEODVYDZHQONNF-UHFFFAOYSA-N/structure.svg)
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 39 of 39 chemicals
Trp-Tyr
CAS 19653-76-0C20H21N3O4
Glyceraldehyde 3-phosphate dehydrogenase (304-313)
CAS 130349-12-1C57H89N13O13S
Acleu-asp-gln-trp-phe-glynh2
CAS 129809-09-2C39H51N9O10
Glycinamide, N-acetyl-L-leucyl-L-methionyl-L-glutaminyl-L-tryptophyl-L-phenylalanyl-
CAS 125989-15-3C40H55N9O8S
Boc-trp-phe-ome
C26H31N3O5
![tert-Butyl N-[1-[[1-(hydrazinecarbonyl)-2-phenyl-ethyl]carbamoyl]-2-(1H-indol-3-yl)ethyl]carbamate chemical structure, C25H31N5O4, CAS 72156-66-2](/s/SLXMQERYTLTDTG-UHFFFAOYSA-N.svg)
tert-Butyl N-[1-[[1-(hydrazinecarbonyl)-2-phenyl-ethyl]carbamoyl]-2-(1H-indol-3-yl)ethyl]carbamate
CAS 72156-66-2C25H31N5O4
![Ethyl 2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-fluorophenyl)propanoate chemical structure, C22H24FN3O3, CAS 4615-99-0](/s/RUCIRQGFKSXMJJ-UHFFFAOYSA-N.svg)
Ethyl 2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-fluorophenyl)propanoate
CAS 4615-99-0C22H24FN3O3
H-Ser-Ser-Val-Val-Gly-Val-Trp-Tyr-Leu-OH
CAS 199336-23-7C49H72N10O13
![3-(1H-Indol-3-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide chemical structure, C20H22N2O2, CAS 790718-79-5](/s/FRQALDYNPBVNRF-UHFFFAOYSA-N.svg)
3-(1H-Indol-3-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CAS 790718-79-5C20H22N2O2
Men 10354
CAS 142959-76-0C37H46N8O9
![N-[2-(4-Chlorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide chemical structure, C19H19ClN2O, CAS 852686-15-8](/s/DCZNGUMIZLEFRY-UHFFFAOYSA-N.svg)
N-[2-(4-Chlorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide
CAS 852686-15-8C19H19ClN2O
H-Trp-phe-OH
CAS 6686-02-8C20H21N3O3
L-Isoleucine, glycyl-L-asparaginyl-L-glutaminyl-L-tryptophyl-L-phenylalanyl-
CAS 853995-60-5C37H49N9O9
L-Phenylalaninamide, L-asparaginyl-D-tryptophyl-
CAS 201225-56-1C24H28N6O4
H-Gly-Ser-Trp-Phe-Arg-OH
CAS 848442-59-1C31H41N9O7
L-Phenylalaninamide, L-asparaginyl-1-methyl-D-tryptophyl-
CAS 805247-92-1C25H30N6O4
![(2S)-2-[[(2S)-2-Acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanamide chemical structure, C22H24N4O3, CAS 119206-29-0](/s/NYDAOAOFRBMAPQ-PMACEKPBSA-N.svg)
(2S)-2-[[(2S)-2-Acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanamide
CAS 119206-29-0C22H24N4O3
Peptide C20W
CAS 123045-86-3C113H190N38O26
N-(3,4-Dimethoxyphenethyl)-3-(1H-indol-3-yl)propanamide
CAS 929809-53-0C21H24N2O3
D-Tryptophanyl-D-phenylalanine
CAS 58607-71-9C20H21N3O3
Wyrgrl
CAS 1021155-39-4C40H59N13O8
Methyl (tert-butoxycarbonyl)-L-tryptophyl-L-phenylalaninate
CAS 72156-62-8C26H31N3O5
(2S)-2-Amino-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide hydrochloride
CAS 1217801-59-6C19H22ClN3O
D-Tryptophyl-D-tyrosyl-D-leucyl-D-leucyl-N~5~-(diaminomethylidene)-D-ornithine
CAS 190775-53-2C38H55N9O7
- (2S)-2-[[(2S)-2-Acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoic acid121788-37-2C22H23N3O4
- N-[(2S)-1-Hydroxy-3-phenylpropan-2-yl]-3-(1H-indol-3-yl)propanamide239076-86-9C20H22N2O2
- Glycyl-L-seryl-L-tryptophyl-L-tyrosyl-L-seryl-L-methionyl-N~5~-(diaminomethylidene)-L-ornithine646066-24-2C39H55N11O11S
- L-Asparaginyl-D-tryptophyl-4-fluoro-L-phenylalaninamide752250-89-8C24H27FN6O4
- N-Acetyl-L-tryptophyl-L-tyrosine849108-21-0C22H23N3O5
- L-Tryptophyl-L-tyrosyl-N~5~-(diaminomethylidene)-L-ornithyl-L-methionyl-L-asparagine827301-52-0C35H48N10O8S
- L-Tryptophyl-L-tyrosyl-L-threonyl-L-methionyl-L-valine827300-55-0C34H46N6O8S
- L-Lysyl-L-alanyl-L-tryptophyl-L-phenylalanyl-L-alanyl-L-glutamic acid824958-98-7C37H50N8O9
- Trp-Phe-Thr823838-26-2C24H28N4O5
- N,1-Bis(tert-butoxycarbonyl)-L-tryptophyl-L-phenylalanine918902-51-9C30H37N3O7
- [Trp3,Arg5]-Ghrelin (1-5) (human, rat)C31H41N9O7
- (2S)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[(2-Aminoacetyl)amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acidC31H41N9O7
- Boc-D-Trp-D-Phe-OMeC26H31N3O5
- Trp-Phe-Ala126855-18-3C23H26N4O4
- Orb32379451027630-05-2C43H64N14O9S
Related scaffolds
Same ring framework with different atoms or bond orders
O=C(CCn1nnc2ccccc21)NN=Cc1ccccc130 chemicals![Scaffold O=C(C=Cc1ccccc1)NCCc1c[nH]c2ccccc12](/scaffold/YSNGDZDGGGVGHU-UHFFFAOYSA-N/structure.svg)
O=C(C=Cc1ccccc1)NCCc1c[nH]c2ccccc1215 chemicals
O=C(CCn1cnc2ccccc21)NN=Cc1ccccc111 chemicals![Scaffold O=C(NN=Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1](/scaffold/XHWXFANOHIMKIW-UHFFFAOYSA-N/structure.svg)
O=C(NN=Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc19 chemicals![Scaffold O=C(NCCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1](/scaffold/VFUQGGUQKRPUGM-UHFFFAOYSA-N/structure.svg)
O=C(NCCc1c[nH]c2ccccc12)C(=O)Nc1ccccc18 chemicals![Scaffold O=C(NCCc1c[nH]c2ccccc12)OCc1ccccc1](/scaffold/UMSQKAUFKBIDAW-UHFFFAOYSA-N/structure.svg)
O=C(NCCc1c[nH]c2ccccc12)OCc1ccccc17 chemicals![Scaffold O=C(COc1ccccc1)NN=Cc1c[nH]c2ccccc12](/scaffold/FVUFKSHRASCBEP-UHFFFAOYSA-N/structure.svg)
O=C(COc1ccccc1)NN=Cc1c[nH]c2ccccc126 chemicalsOc1ccccc1](/scaffold/XKRKGYFXGJKVIE-UHFFFAOYSA-N/structure.svg)
O=[PH](COCCn1cnc2cncnc21)Oc1ccccc16 chemicals
O=C(CNCCCc1ccccc1)N1CCC2CCCCC215 chemicals
O=C(C=CC=Cc1ccccc1)CC1C(=O)Nc2ccccc214 chemicals
O=C(CSc1nnc2ccccn12)NNC(=O)c1ccccc14 chemicals
O=C(C=Cc1ccccc1)NCCn1ccc2ccccc213 chemicals