Murcko scaffold
Ring system with 5 rings and 34 atoms
80 chemicals on CompoundList share this ring system.
- Rings
- 5
- Scaffold atoms
- 34
- Chemicals
- 80
- With full pages
- 29
Scaffold SMILES
O=[PH](OCC1CCC(n2cnc3cncnc32)O1)O[PH](=O)OCC1CCC([n+]2ccccc2)O1
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.
O1)O[PH](=O)OCC1CCC([n+]2ccccc2)O1](/scaffold/NEQSZHPXWRKWHT-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 48 of 80 chemicals
![[[5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate chemical structure, C21H28N7O14P2+, CAS 65085-09-8](/s/BAWFJGJZGIEFAR-UHFFFAOYSA-O.svg)
[[5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
CAS 65085-09-8C21H28N7O14P2+
Nadp
CAS 53-59-8C21H28N7O17P3
NADP nicotinamide-adenine-dinucleotide phosphate
CAS 604-79-5C21H29N7O17P3+
Nadide
CAS 53-84-9C21H27N7O14P2
Nadide (JAN/USAN/INN)
CAS 151411-04-0C21H28N7O14P2+
Adenine-alpha-nicotinamide dinucleotide
CAS 7298-93-3C21H27N7O14P2
Acetylpyridine adenine dinucleotide
CAS 86-08-8C22H28N6O14P2
Nicotinic acid adenine dinucleotide phosphate
CAS 5502-96-5C21H27N6O18P3
Naadp+
CAS 119299-06-8C21H28N6O18P3+
2'-O-(N-(2-Aminoethyl)carbamoylethyl)phosphono-NAD
CAS 95754-66-8C26H38N9O18P3
Acpacnad
CAS 95754-68-0C31H48N11O19P3
3,4-Dimethylpyridine adenine dinucleotide
CAS 102686-21-5C22H30N6O13P2
Nicotinamide 2-azidoadenine dinucleotide
CAS 126609-61-8C21H26N10O14P2
Desamido NAD
CAS 6450-77-7C21H26N6O15P2
2'-Deoxynicotinamide adenine dinucleotide
CAS 6697-37-6C21H27N7O13P2
Diazoaminopyridine dinucleotide
CAS 42919-10-8C20H25N8O13P2+
Nicotinamide-6(2-aminoethylamino)purine dinucleotide
CAS 59587-50-7C23H32N8O14P2
Isonicotinoylhydrazide adenine dinucleotide
CAS 2668-07-7C21H28N8O14P2
N-6-(N-(6-aminohexyl)carbamoylmethyl)-NAD
CAS 52213-58-8C29H43N9O15P2
3-Iodopyridine-adenine dinucleotide
CAS 56541-70-9C20H25IN6O13P2
5-(3-Carboxy-3-hydroxypropyl)nicotinamide adenine dinucleotide
CAS 68889-85-0C25H33N7O17P2
NAD dimers
CAS 66844-06-2C42H54N14O28P4
Nicotinamide arabinoside adenine dinucleotide
CAS 108646-17-9C21H27N7O14P2
beta-Nicotinamide adenine dinucleotide 4-hydrate
CAS 282730-13-6C21H35N7O18P2
- 10 suppliersNadide phosphate disodium24292-60-2C21H26N7Na2O17P3
- NADdisodiumsalt75479-51-5C21H26N7Na2O14P2+
- 1 suppliers3-Pyridinealdehyde-NAD86-07-7C21H26N6O14P2
- 3-Acetylpyridine-adenine dinucleotide phosphate341-67-3C22H29N6O17P3
- 3-Aminopyridine adenine dinucleotide21106-96-7C20H27N7O13P2
- 3-Chloroacetylpyridine-adenine dinucleotide39938-03-9C22H27ClN6O14P2
- 1-((2R,3R,4S,5R)-5-((((((((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)oxidophosphoryl)oxy)methyl)-3,4-dihydroxytetrahydrofuran-2-yl)-3-carbamoyl-4-(2-oxopropyl)pyridin-1-ium63293-11-8C24H31N7O15P2
- 1 suppliersThionicotinamide adenine dinucleotide phosphate19254-05-8C21H28N7O16P3S
- 3 suppliersNadide phosphate monosodium1184-16-3C21H27N7NaO17P3
- 5-Methylnicotinamide-adenine dinucleotide56541-76-5C22H29N7O14P2
- 3'-Deoxynicotinamide adenine dinucleotide60902-13-8C21H27N7O13P2
- Adenosine 5'-(trihydrogen diphosphate), 5',5' ester with 3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium hydroxide, inner salt, monolithium saltC21H26LiN7O14P2
- Adenosine 5a(2)-(trihydrogen diphosphate), Pa(2)a5a(2)-ester with 3-(aminocarbonyl)-1-I(2)-D-ribofuranosylpyridinium-4-t inner salt2980-50-9C21H27N7O14P2
- Adenosine 5'-(trihydrogen diphosphate), P'->5'-ester with 3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium, inner salt, ion(1-)76961-04-1C21H26N7O14P2-
- Nicotinamide adenine dinucleotide phosphate165676-60-8C21H25N7O17P3-3
- 1 suppliers3-Acetylpyridine adenine dinucleotide phosphate sodium salt102029-67-4C22H30N6NaO17P3+
- Lithium [[(2R,3S,4R,5R)-5-[6-[[2-(6-aminohexylamino)-2-oxoethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate102029-94-7C29H42LiN9O15P2
- NADtrihydrate1082604-19-0C21H33N7O17P2
- Orb1691813133575-27-6C21H26FN7O13P2
- Disodium, [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamothioylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate100063-53-4C21H28N7Na2O16P3S+2
- Nad+ lithiumC21H26LiN7O14P2
- 2 suppliersbeta-Nicotinamide adenine dinucleotide sodium salt from Saccharomyces cerevisiae20111-18-6C21H26N7NaO14P2
- beta-Nicotinamide adenine dinucleotide phosphate sodium salt hydrate698999-85-8C21H29N7NaO18P3
- 2 suppliersbeta-NAADP SODIUM SALTC21H23N6Na4O18P3
Related scaffolds
Same ring framework with different atoms or bond orders
O1)O[PH](=O)OCC1CCC(n2cnc3cncnc32)O1](/scaffold/QMVHHVSTFIPFPP-UHFFFAOYSA-N/structure.svg)
![Scaffold O=c1[nH]cnc2c1ncn2C1CCC(CO[PH](=O)O[PH](=O)OCC2CCC([n+]3ccccc3)O2)O1](/scaffold/DQXLSUIPGGAECX-UHFFFAOYSA-O/structure.svg)
![Scaffold O=c1[nH]cnc2c1ncn2C1CCC(CO[PH](=O)O[PH](=O)OCC2CCC(N3C=CCC=C3)O2)O1](/scaffold/BRKIVBBPAGDJCV-UHFFFAOYSA-N/structure.svg)