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Murcko scaffold

Ring system with 4 rings and 42 atoms

30 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
42
Chemicals
30
With full pages
3
Scaffold SMILES

O=C(CNC(=O)NCc1cscn1)NC(CCC(Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1

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(CNC(=O)NCc1cscn1)NC(CCC(Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1

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 30 of 30 chemicals

Ritonavir? chemical structure, C37H48N6O5S2, CAS 162990-01-4
Ritonavir?
CAS 162990-01-4C37H48N6O5S2
Ritonavir chemical structure, C37H48N6O5S2, CAS 155213-67-5
Ritonavir
CAS 155213-67-5C37H48N6O5S2
Thiazol-5-ylmethyl N-[(1S,2S,4S)-1-benzyl-2-hydroxy-4-[[(2S)-2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]propanoyl]amino]-5-phenyl-pentyl]carbamate chemical structure, C35H44N6O5S2, CAS 165314-93-2
Thiazol-5-ylmethyl N-[(1S,2S,4S)-1-benzyl-2-hydroxy-4-[[(2S)-2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]propanoyl]amino]-5-phenyl-pentyl]carbamate
CAS 165314-93-2C35H44N6O5S2
2,4,7,12-Tetraazatridecan-13-oic acid, 10-hydroxy-2-methyl-5-(1-methylethyl)-1-(2-(1-methylethyl)-4-thiazolyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, (2-methyl-5-thiazolyl)methyl ester, (5S-(5R*,8R*,10R*,11R*))- chemical structure, C38H50N6O5S2, CAS 165315-13-9
2,4,7,12-Tetraazatridecan-13-oic acid, 10-hydroxy-2-methyl-5-(1-methylethyl)-1-(2-(1-methylethyl)-4-thiazolyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, (2-methyl-5-thiazolyl)methyl ester, (5S-(5R*,8R*,10R*,11R*))-
CAS 165315-13-9C38H50N6O5S2
2,4,7,12-Tetraazatridecan-13-oic acid, 9-hydroxy-2-methyl-5-(1-methylethyl)-1-(2-(1-methylethyl)-4-thiazolyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, (2-methyl-5-thiazolyl)methyl ester, (5S-(5R*,8R*,9R*,11R*))- chemical structure, C38H50N6O5S2, CAS 165315-14-0
2,4,7,12-Tetraazatridecan-13-oic acid, 9-hydroxy-2-methyl-5-(1-methylethyl)-1-(2-(1-methylethyl)-4-thiazolyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, (2-methyl-5-thiazolyl)methyl ester, (5S-(5R*,8R*,9R*,11R*))-
CAS 165315-14-0C38H50N6O5S2
2,2'-(Benzylimino)diethanol N-Oxide chemical structure, C39H52N6O5S2, CAS 165315-17-3
2,2'-(Benzylimino)diethanol N-Oxide
CAS 165315-17-3C39H52N6O5S2
(2-Isopropylthiazol-5-yl)methyl N-[(1S,2S,4S)-1-benzyl-2-hydroxy-4-[[(2S)-2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoyl]amino]-5-phenyl-pentyl]carbamate chemical structure, C40H54N6O5S2, CAS 165315-18-4
(2-Isopropylthiazol-5-yl)methyl N-[(1S,2S,4S)-1-benzyl-2-hydroxy-4-[[(2S)-2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoyl]amino]-5-phenyl-pentyl]carbamate
CAS 165315-18-4C40H54N6O5S2
2-Desisopropyl-2-ethyl ritonavir chemical structure, C36H46N6O5S2, CAS 165315-26-4
2-Desisopropyl-2-ethyl ritonavir
CAS 165315-26-4C36H46N6O5S2
2,7,10,12-Tetraazapentadecanoic acid, 4-hydroxy-9-(1-methylethyl)-12-((2-(1-methylethyl)-4-thiazolyl)methyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,4R*,6R*,9R*))- chemical structure, C39H52N6O5S2, CAS 165315-27-5
2,7,10,12-Tetraazapentadecanoic acid, 4-hydroxy-9-(1-methylethyl)-12-((2-(1-methylethyl)-4-thiazolyl)methyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,4R*,6R*,9R*))-
CAS 165315-27-5C39H52N6O5S2
2,7,10,12-Tetraazapentadecanoic acid, 4-hydroxy-14-methyl-9-(1-methylethyl)-12-((2-(1-methylethyl)-4-thiazolyl)methyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,4R*,6R*,9R*))- chemical structure, C40H54N6O5S2, CAS 165315-28-6
2,7,10,12-Tetraazapentadecanoic acid, 4-hydroxy-14-methyl-9-(1-methylethyl)-12-((2-(1-methylethyl)-4-thiazolyl)methyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,4R*,6R*,9R*))-
CAS 165315-28-6C40H54N6O5S2
2,4,7,12-Tetraazatridecan-13-oic acid, 10-hydroxy-2-methyl-5-(1-methylethyl)-1-(2-(2-methylpropyl)-4-thiazolyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (5S-(5R*,8R*,10R*,11R*))- chemical structure, C38H50N6O5S2, CAS 165315-32-2
2,4,7,12-Tetraazatridecan-13-oic acid, 10-hydroxy-2-methyl-5-(1-methylethyl)-1-(2-(2-methylpropyl)-4-thiazolyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (5S-(5R*,8R*,10R*,11R*))-
CAS 165315-32-2C38H50N6O5S2
2,3,5,8,13-Pentaazatetradecanedioic acid, 11-hydroxy-6-(1-methylethyl)-3-((2-(1-methylethyl)-4-thiazolyl)methyl)-4,7-dioxo-9,12-bis(phenylmethyl)-, 1-(1,1-dimethylethyl) 14-(5-thiazolylmethyl) ester, (6S-(6R*,9R*,11R*,12R*))- chemical structure, C41H55N7O7S2, CAS 165315-35-5
2,3,5,8,13-Pentaazatetradecanedioic acid, 11-hydroxy-6-(1-methylethyl)-3-((2-(1-methylethyl)-4-thiazolyl)methyl)-4,7-dioxo-9,12-bis(phenylmethyl)-, 1-(1,1-dimethylethyl) 14-(5-thiazolylmethyl) ester, (6S-(6R*,9R*,11R*,12R*))-
CAS 165315-35-5C41H55N7O7S2
Thiazol-5-ylmethyl N-[(1S,2S,4S)-4-[[(2S)-2-[[amino-[(2-isopropylthiazol-4-yl)methyl]carbamoyl]amino]-3-methyl-butanoyl]amino]-1-benzyl-2-hydroxy-5-phenyl-pentyl]carbamate chemical structure, C36H47N7O5S2, CAS 165315-36-6
Thiazol-5-ylmethyl N-[(1S,2S,4S)-4-[[(2S)-2-[[amino-[(2-isopropylthiazol-4-yl)methyl]carbamoyl]amino]-3-methyl-butanoyl]amino]-1-benzyl-2-hydroxy-5-phenyl-pentyl]carbamate
CAS 165315-36-6C36H47N7O5S2
Ritonavir 4-hydroxy isomer chemical structure, C37H48N6O5S2, CAS 202816-62-4
Ritonavir 4-hydroxy isomer
CAS 202816-62-4C37H48N6O5S2
1,3-Thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2R)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate chemical structure, C37H48N6O5S2, CAS 183388-65-0
1,3-Thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2R)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
CAS 183388-65-0C37H48N6O5S2
Kaletra chemical structure, C74H96N10O10S2, CAS 369372-47-4
Kaletra
CAS 369372-47-4C74H96N10O10S2
Ritonavir-d6 chemical structure, C37H48N6O5S2, CAS 1217720-20-1
Ritonavir-d6
CAS 1217720-20-1C37H48N6O5S2
Ritonavir-13C3 chemical structure, C37H48N6O5S2, CAS 1217673-23-8
Ritonavir-13C3
CAS 1217673-23-8C37H48N6O5S2
ent-Ritonavir chemical structure, C37H48N6O5S2, CAS 2650654-23-0
ent-Ritonavir
CAS 2650654-23-0C37H48N6O5S2
Thiazol-5-ylmethyl (2S,3S,5R)-3-hydroxy-5-((S)-2-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido(-3-methylbutanamido)-1,6-diphenylhexan-2-ylcarbamate chemical structure, C37H48N6O5S2, CAS 1414933-80-4
Thiazol-5-ylmethyl (2S,3S,5R)-3-hydroxy-5-((S)-2-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido(-3-methylbutanamido)-1,6-diphenylhexan-2-ylcarbamate
CAS 1414933-80-4C37H48N6O5S2
Thiazol-5-ylmethyl N-[(1R,4R)-1-benzyl-4-[[(2S)-4-hydroxy-2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]butanoyl]amino]-5-phenyl-pentyl]carbamate chemical structure, C36H46N6O5S2, CAS 1004318-09-5
Thiazol-5-ylmethyl N-[(1R,4R)-1-benzyl-4-[[(2S)-4-hydroxy-2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]butanoyl]amino]-5-phenyl-pentyl]carbamate
CAS 1004318-09-5C36H46N6O5S2
Thiazol-5-ylmethyl N-[(1R,4R)-4-[[(2S)-4-amino-2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]butanoyl]amino]-1-benzyl-5-phenyl-pentyl]carbamate chemical structure, C36H47N7O4S2, CAS 1004316-87-3
Thiazol-5-ylmethyl N-[(1R,4R)-4-[[(2S)-4-amino-2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]butanoyl]amino]-1-benzyl-5-phenyl-pentyl]carbamate
CAS 1004316-87-3C36H47N7O4S2
tert-Butyl ((S)-4-(((2R,5R)-1,6-diphenyl-5-(((thiazol-5-ylmethoxy)carbonyl)amino)hexan-2-yl)amino)-3-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido)-4-oxobutyl)carbamate chemical structure, C41H55N7O6S2, CAS 1004316-85-1
tert-Butyl ((S)-4-(((2R,5R)-1,6-diphenyl-5-(((thiazol-5-ylmethoxy)carbonyl)amino)hexan-2-yl)amino)-3-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido)-4-oxobutyl)carbamate
CAS 1004316-85-1C41H55N7O6S2
Hydroxy ritonavir chemical structure, C37H48N6O6S2, CAS 176655-56-4
Hydroxy ritonavir
CAS 176655-56-4C37H48N6O6S2