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Murcko scaffold

Ring system with 5 rings and 51 atoms

14 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
51
Chemicals
14
With full pages
3
Scaffold SMILES

O=C1CNC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccccc2)NC(=O)CC2(CCCCC2)SSCC(C(=O)N2CCCC2)NC(=O)CN1

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=C1CNC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccccc2)NC(=O)CC2(CCCCC2)SSCC(C(=O)N2CCCC2)NC(=O)CN1

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 14 of 14 chemicals

SK&F 101926 chemical structure, C51H74N12O10S2, CAS 90332-82-4
SK&F 101926
CAS 90332-82-4C51H74N12O10S2
1-(beta-Mercapto-beta,beta-cyclopentamethylenepropionic acid)-2-(O-ethyl-tyr)-4-val-arginine vasopressin chemical structure, C53H77N13O11S2, CAS 77453-01-1
1-(beta-Mercapto-beta,beta-cyclopentamethylenepropionic acid)-2-(O-ethyl-tyr)-4-val-arginine vasopressin
CAS 77453-01-1C53H77N13O11S2
Argipressin, beta-mercapto-beta,beta cyclopentamethylenepropionic acid(1)- chemical structure, C51H72N14O12S2, CAS 73168-23-7
Argipressin, beta-mercapto-beta,beta cyclopentamethylenepropionic acid(1)-
CAS 73168-23-7C51H72N14O12S2
Vasopressin, beta-mercapto beta,beta-cyclopentamethylenepropionic acid(1)-O-ethyl-tyr(2)-val(4)-cit(8)- chemical structure, C53H76N12O12S2, CAS 92954-83-1
Vasopressin, beta-mercapto beta,beta-cyclopentamethylenepropionic acid(1)-O-ethyl-tyr(2)-val(4)-cit(8)-
CAS 92954-83-1C53H76N12O12S2
Argipressin, (1-mercapto-4-methylcyclohexaneacetic acid)(1)- chemical structure, C52H74N14O12S2, CAS 119617-71-9
Argipressin, (1-mercapto-4-methylcyclohexaneacetic acid)(1)-
CAS 119617-71-9C52H74N14O12S2
Argipressin, beta-mercapto beta,beta-cyclopentamethylenepropionic acid(1)-O-methyl-tyr(2)-val(4)- chemical structure, C52H75N13O11S2, CAS 77403-97-5
Argipressin, beta-mercapto beta,beta-cyclopentamethylenepropionic acid(1)-O-methyl-tyr(2)-val(4)-
CAS 77403-97-5C52H75N13O11S2
1-(2-Mercapto-beta,beta-cyclopentamethylenepropionic acid)-2-phenylalanyl-4-valine-argipressin chemical structure, C51H73N13O10S2, CAS 81094-03-3
1-(2-Mercapto-beta,beta-cyclopentamethylenepropionic acid)-2-phenylalanyl-4-valine-argipressin
CAS 81094-03-3C51H73N13O10S2
Argipressin,-(1-mercaptocyclohexaneacetic acid)(1)-Tyr(2)-Val(4)- chemical structure, C51H73N13O11S2, CAS 81094-15-7
Argipressin,-(1-mercaptocyclohexaneacetic acid)(1)-Tyr(2)-Val(4)-
CAS 81094-15-7C51H73N13O11S2
Vasopressin, 1-(1-mercaptocyclohexaneacetic acid)-2-(O-methyl-L-tyrosine)-8-L-arginine- chemical structure, C52H74N14O12S2, CAS 73168-24-8
Vasopressin, 1-(1-mercaptocyclohexaneacetic acid)-2-(O-methyl-L-tyrosine)-8-L-arginine-
CAS 73168-24-8C52H74N14O12S2
(D(CH2)51, Tyr(Et)2, Val4, Arg8, des-gly-NH29)-vasopressin chemical structure, C51H74N12O10S2, CAS 90332-81-3
(D(CH2)51, Tyr(Et)2, Val4, Arg8, des-gly-NH29)-vasopressin
CAS 90332-81-3C51H74N12O10S2
(2S)-N-[(2S)-1-Amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(10S,13S,16S,19S,22R)-13-(2-amino-2-oxoethyl)-19-benzyl-22-[(4-ethoxyphenyl)methyl]-12,15,18,21,24-pentaoxo-16-propan-2-yl-7,8-dithia-11,14,17,20,23-pentazaspiro[5.19]pentacosane-10-carbonyl]pyrrolidine-2-carboxamide chemical structure, C51H74N12O10S2, CAS 119902-14-6
(2S)-N-[(2S)-1-Amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(10S,13S,16S,19S,22R)-13-(2-amino-2-oxoethyl)-19-benzyl-22-[(4-ethoxyphenyl)methyl]-12,15,18,21,24-pentaoxo-16-propan-2-yl-7,8-dithia-11,14,17,20,23-pentazaspiro[5.19]pentacosane-10-carbonyl]pyrrolidine-2-carboxamide
CAS 119902-14-6C51H74N12O10S2
(D(CH2)51,tyr(Me)2,dab5,arg8)-vasopressin chemical structure, C52H76N14O11S2, CAS 176714-12-8
(D(CH2)51,tyr(Me)2,dab5,arg8)-vasopressin
CAS 176714-12-8C52H76N14O11S2
beta-Mercapto-beta,beta-cyclopentamethylene-propionyl-tyr(ET)-phe-val-asn-cys-pro-arg-OH chemical structure, C51H73N11O11S2, CAS 110567-67-4
beta-Mercapto-beta,beta-cyclopentamethylene-propionyl-tyr(ET)-phe-val-asn-cys-pro-arg-OH
CAS 110567-67-4C51H73N11O11S2
(D(CH2)51,D-Phe2,Ile4,Ala-NH29)-vasopressin b-mercapto-b,b-cyclopentamethylene-propionyl-D-phe-phe-ile-asn-cys-pro-arg-ala-NH2 (Disulfide bond) chemical structure, C53H77N13O10S2, CAS 99835-78-6
(D(CH2)51,D-Phe2,Ile4,Ala-NH29)-vasopressin b-mercapto-b,b-cyclopentamethylene-propionyl-D-phe-phe-ile-asn-cys-pro-arg-ala-NH2 (Disulfide bond)
CAS 99835-78-6C53H77N13O10S2