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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03078992

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CRM3-[8-((2S,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL)-
2,4,7-TRIOXO-1,3,8-TRIHYDROPTERIDIN-
6-YL]PROPANOIC ACID
A,B,C,D,E1KYX0.71
CRM3-[8-((2S,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL)-
2,4,7-TRIOXO-1,3,8-TRIHYDROPTERIDIN-
6-YL]PROPANOIC ACID
A,B,C,D,E2A570.71
CRM3-[8-((2S,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL)-
2,4,7-TRIOXO-1,3,8-TRIHYDROPTERIDIN-
6-YL]PROPANOIC ACID
A1KZL0.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA,T2UVV0.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,D,E,H,J3GIL0.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA,C1U4B0.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA,D,E3GIM0.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA1PUN0.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA,F2I5W0.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEE,G3CVT0.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA,C1U480.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA183D0.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEB1LPQ0.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA,T2UVW0.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA,P,T1MQ20.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEE,G3CW70.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA,P,T2C2R0.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA,C2NOF0.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA,P,T1MQ30.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,C1VRL0.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA,P,T1TKD0.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA,C2NOL0.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEE,G3CVS0.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA,P,T1TK80.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA,D,E3GIK0.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEC1N3C0.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA,C2F5Q0.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA,E3GII0.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEC2NOH0.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,C1RRS0.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA,C2F5S0.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B1FYI0.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA,P,T1Q9Y0.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA,P,T1TK00.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B1RRQ0.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA,T2C2E0.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA1PPX0.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B1N2W0.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA1PUS0.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEC2NOZ0.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEC1EBM0.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA,P,T1ZYQ0.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,D,E,H,J2ASL0.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA,T2C2D0.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA,T2UVU0.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,D,E,H,J3GIJ0.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA1PUQ0.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA,T2C220.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,P,Q,T,U3HED0.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,D,E,H,J2ASD0.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B178D0.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEC2NOE0.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEC2NOB0.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA,C1U470.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA,C1U490.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEE,G3CWA0.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA,T2UVR0.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA,C1YQR0.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA,C1U450.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA,T2C280.71
8OG8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA,C1R2Y0.71
PH22-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-
3H-PTERIDIN-4-ONE
A1Q0N0.72
PH22-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-
3H-PTERIDIN-4-ONE
A,B1RU10.72
PH22-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-
3H-PTERIDIN-4-ONE
A1HQ20.72
PH22-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-
3H-PTERIDIN-4-ONE
A,B2QX00.72
PH22-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-
3H-PTERIDIN-4-ONE
A1F9H0.72
PH22-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-
3H-PTERIDIN-4-ONE
A1AJ00.72
PH22-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-
3H-PTERIDIN-4-ONE
A,B,C,D,E,F,
G,H
1NBU0.72
PH22-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-
3H-PTERIDIN-4-ONE
A2DHN0.72
BHS6S-5,6,7,8-TETRAHYDROBIOPTERINA,B1DMI0.73
FOXA,B1XC80.72
FOXA,B1TDZ0.72
2PH[7,8-DIHYDRO-PTERIN-6-YL METHANYL]-
PHOSPHONOPHOSPHATE
A1AJ20.75
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1K2U0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA1KW00.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1QW50.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B3B3M0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1ZZR0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1ZZT0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B3E6N0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B3DWJ0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA1QW60.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1LZX0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B3E7M0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1P6H0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B,C,D3E7G0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1P6K0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1ZVL0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1M8I0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B3NOS0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1K2S0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1DM80.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1NSE0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA1J8U0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1MMV0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1M8H0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B3E6O0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B,C,D,E,F2DTT0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B2HX20.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1RS90.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1MMW0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B3B3N0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1D1X0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1P6N0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B3E7I0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B,C,D4NOS0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1D1V0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1N2N0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B2HX30.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B3NOD0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B,C,D2NSI0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1K2R0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1ZZS0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B3DQR0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1DF10.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1R350.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1RS80.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA1VAG0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1JWJ0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1VAF0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B3E6L0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B9NSE0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B3B3O0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B2G6H0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1QW40.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1ZZU0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA1MMT0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1P6M0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1P6J0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B3DQT0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1RS70.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B2G6M0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1QOM0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1LZZ0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B,C,D3EJ80.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B,C,D1NSI0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA2AN20.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA1QWC0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B3B3P0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B2G6K0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B2NOD0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1M000.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA1MMK0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1M9T0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1NOD0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA1ZVI0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B3E670.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B3E680.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1Q2O0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1K2T0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1M8D0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1OM40.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B8NSE0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1DWX0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B3EAI0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B2NSE0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B3EBD0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1ZZQ0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B,C,D2BFP0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1OM50.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1D1W0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1P6L0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B3DQS0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1RS60.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1M8E0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1P6I0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B3E650.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B3E6T0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1FOP0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B3EBF0.73
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B2HX40.73
MPNPHOSPHORIC ACID MONO-(2-AMINO-4-
OXO-5,6-DITHIOXO-1,5,6,7,8A,9,10,10A-
OCTAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-
ANTHRACEN-7-YLMETHYL) ESTER
A,B,C,D,E,F,
G,H
1JRP0.71
MPNPHOSPHORIC ACID MONO-(2-AMINO-4-
OXO-5,6-DITHIOXO-1,5,6,7,8A,9,10,10A-
OCTAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-
ANTHRACEN-7-YLMETHYL) ESTER
A,B,C,D,E,F,
G,H
2W550.71
MPNPHOSPHORIC ACID MONO-(2-AMINO-4-
OXO-5,6-DITHIOXO-1,5,6,7,8A,9,10,10A-
OCTAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-
ANTHRACEN-7-YLMETHYL) ESTER
A,B,C,D,E,F,
G,H
2W540.71
MPNPHOSPHORIC ACID MONO-(2-AMINO-4-
OXO-5,6-DITHIOXO-1,5,6,7,8A,9,10,10A-
OCTAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-
ANTHRACEN-7-YLMETHYL) ESTER
A,B,C,D,E,F,
G,H
2W3S0.71
MPNPHOSPHORIC ACID MONO-(2-AMINO-4-
OXO-5,6-DITHIOXO-1,5,6,7,8A,9,10,10A-
OCTAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-
ANTHRACEN-7-YLMETHYL) ESTER
A,B,C,D,E,F,
G,H
1JRO0.71
MPNPHOSPHORIC ACID MONO-(2-AMINO-4-
OXO-5,6-DITHIOXO-1,5,6,7,8A,9,10,10A-
OCTAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-
ANTHRACEN-7-YLMETHYL) ESTER
A,B,C,D,E,F,
G,H
2W3R0.71
AIF[(2R,3S,4R,5E)-5-[(5-amino-2,6-
dioxo-3H-pyrimidin-4-yl)imino]-
2,3,4-trihydroxy-pentyl] dihydrogen phosphate
A,B,C,D3EX80.73
NPR2-AMINO-7,8-DIHYDRO-6-(1,2,3-TRIHYDROXYPROPYL)-
4(1H)-PTERIDINONE
A1U680.93
6MI6-METHYL-8-(2-DEOXY-RIBOFURANOSYL)ISOXANTHOPTERIDINEB1PO60.82
6MI6-METHYL-8-(2-DEOXY-RIBOFURANOSYL)ISOXANTHOPTERIDINEB1PGZ0.82
HBI7,8-DIHYDROBIOPTERINA,B,C,D2BF70.83
HBI7,8-DIHYDROBIOPTERINA,B3E7T0.83
HBI7,8-DIHYDROBIOPTERINA1DR40.83
HBI7,8-DIHYDROBIOPTERINA1DMW0.83
HBI7,8-DIHYDROBIOPTERINA,B2FC20.83
HBI7,8-DIHYDROBIOPTERINA1DR60.83
HBI7,8-DIHYDROBIOPTERINA,B,C,D,E,F,
G,H
1DCP0.83
HBI7,8-DIHYDROBIOPTERINA,B2G6I0.83
HBI7,8-DIHYDROBIOPTERINA1DR30.83
HBI7,8-DIHYDROBIOPTERINA,B,C,D1E920.83
HBI7,8-DIHYDROBIOPTERINA2BHJ0.83
HBI7,8-DIHYDROBIOPTERINA,B2G6L0.83
HBI7,8-DIHYDROBIOPTERINA2TOH0.83
HBI7,8-DIHYDROBIOPTERINA1LRM0.83
HBI7,8-DIHYDROBIOPTERINA,B1JWK0.83
HBI7,8-DIHYDROBIOPTERINA1DR10.83
HBI7,8-DIHYDROBIOPTERINA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T
1WPL0.83
HBI7,8-DIHYDROBIOPTERINA,B2G6N0.83
HBI7,8-DIHYDROBIOPTERINA1LTZ0.83
HBI7,8-DIHYDROBIOPTERINA1MLW0.83
HBI7,8-DIHYDROBIOPTERINA2FC10.83