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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03078322

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NPR2-AMINO-7,8-DIHYDRO-6-(1,2,3-TRIHYDROXYPROPYL)-
4(1H)-PTERIDINONE
A1U680.82
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
1JRP0.72
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
2W550.72
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
2W540.72
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
2W3S0.72
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
1JRO0.72
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
2W3R0.72
PUG3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8-
PURINETRIONE-7-YL)
A,B,C,D,E,F,
G,H,I,J
2C9B0.71
6MI6-METHYL-8-(2-DEOXY-RIBOFURANOSYL)ISOXANTHOPTERIDINEB1PO60.7
6MI6-METHYL-8-(2-DEOXY-RIBOFURANOSYL)ISOXANTHOPTERIDINEB1PGZ0.7
LMZ5-NITROSO-6-RIBITYL-AMINO-2,4(1H,3H)-
PYRIMIDINEDIONE
A,B,C,D,E,F,
G,H,I,J
1C410.77
LMZ5-NITROSO-6-RIBITYL-AMINO-2,4(1H,3H)-
PYRIMIDINEDIONE
A,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T
1C2Y0.77
LMZ5-NITROSO-6-RIBITYL-AMINO-2,4(1H,3H)-
PYRIMIDINEDIONE
A,B,C,D,E2A590.77
LMZ5-NITROSO-6-RIBITYL-AMINO-2,4(1H,3H)-
PYRIMIDINEDIONE
A,B,C,D,E1NQV0.77
BHS6S-5,6,7,8-TETRAHYDROBIOPTERINA,B1DMI0.85
HBI7,8-DIHYDROBIOPTERINA,B,C,D2BF70.75
HBI7,8-DIHYDROBIOPTERINA,B3E7T0.75
HBI7,8-DIHYDROBIOPTERINA1DR40.75
HBI7,8-DIHYDROBIOPTERINA1DMW0.75
HBI7,8-DIHYDROBIOPTERINA,B2FC20.75
HBI7,8-DIHYDROBIOPTERINA1DR60.75
HBI7,8-DIHYDROBIOPTERINA,B,C,D,E,F,
G,H
1DCP0.75
HBI7,8-DIHYDROBIOPTERINA,B2G6I0.75
HBI7,8-DIHYDROBIOPTERINA1DR30.75
HBI7,8-DIHYDROBIOPTERINA,B,C,D1E920.75
HBI7,8-DIHYDROBIOPTERINA2BHJ0.75
HBI7,8-DIHYDROBIOPTERINA,B2G6L0.75
HBI7,8-DIHYDROBIOPTERINA2TOH0.75
HBI7,8-DIHYDROBIOPTERINA1LRM0.75
HBI7,8-DIHYDROBIOPTERINA,B1JWK0.75
HBI7,8-DIHYDROBIOPTERINA1DR10.75
HBI7,8-DIHYDROBIOPTERINA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T
1WPL0.75
HBI7,8-DIHYDROBIOPTERINA,B2G6N0.75
HBI7,8-DIHYDROBIOPTERINA1LTZ0.75
HBI7,8-DIHYDROBIOPTERINA1MLW0.75
HBI7,8-DIHYDROBIOPTERINA2FC10.75
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1K2U0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA1KW00.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1QW50.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B3B3M0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1ZZR0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1ZZT0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B3E6N0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B3DWJ0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA1QW60.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1LZX0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B3E7M0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1P6H0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B,C,D3E7G0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1P6K0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1ZVL0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1M8I0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B3NOS0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1K2S0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1DM80.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1NSE0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA1J8U0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1MMV0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1M8H0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B3E6O0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B,C,D,E,F2DTT0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B2HX20.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1RS90.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1MMW0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B3B3N0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1D1X0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1P6N0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B3E7I0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B,C,D4NOS0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1D1V0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1N2N0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B2HX30.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B3NOD0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B,C,D2NSI0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1K2R0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1ZZS0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B3DQR0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1DF10.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1R350.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1RS80.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA1VAG0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1JWJ0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1VAF0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B3E6L0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B9NSE0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B3B3O0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B2G6H0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1QW40.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1ZZU0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA1MMT0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1P6M0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1P6J0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B3DQT0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1RS70.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B2G6M0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1QOM0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1LZZ0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B,C,D3EJ80.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B,C,D1NSI0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA2AN20.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA1QWC0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B3B3P0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B2G6K0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B2NOD0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1M000.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA1MMK0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1M9T0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1NOD0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA1ZVI0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B3E670.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B3E680.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1Q2O0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1K2T0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1M8D0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1OM40.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B8NSE0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1DWX0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B3EAI0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B2NSE0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B3EBD0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1ZZQ0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B,C,D2BFP0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1OM50.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1D1W0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1P6L0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B3DQS0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1RS60.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1M8E0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1P6I0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B3E650.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B3E6T0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B1FOP0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B3EBF0.85
H4B5,6,7,8-TETRAHYDROBIOPTERINA,B2HX40.85
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,E1KYX0.72
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,E2A570.72
CRM3-[8-((2S,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL)-
2,4,7-TRIOXO-1,3,8-TRIHYDROPTERIDIN-
6-YL]PROPANOIC ACID
A1KZL0.72
RDL6,7-DIOXO-5H-8-RIBITYLAMINOLUMAZINEA,B,C,D,E2B990.78
RDL6,7-DIOXO-5H-8-RIBITYLAMINOLUMAZINEA,B,C,D,E1NQU0.78
INI5-NITRO-6-RIBITYL-AMINO-2,4(1H,3H)-
PYRIMIDINEDIONE
A,B,C,D,E2O6H0.77
INI5-NITRO-6-RIBITYL-AMINO-2,4(1H,3H)-
PYRIMIDINEDIONE
1,2,3,4,A,B,
C,D,E,F,G,H,
I,J,K,L,M,N,
O,P,Q,R,S,T,
U,V,W,X,Y,Z
1RVV0.77
INI5-NITRO-6-RIBITYL-AMINO-2,4(1H,3H)-
PYRIMIDINEDIONE
A,B,C,D,E2F590.77
INI5-NITRO-6-RIBITYL-AMINO-2,4(1H,3H)-
PYRIMIDINEDIONE
A,B,C,D,E,F,
G,H,I,J
2OBX0.77
INI5-NITRO-6-RIBITYL-AMINO-2,4(1H,3H)-
PYRIMIDINEDIONE
A,B,C,D,E,F,
G,H,I,J
1ZIS0.77
INI5-NITRO-6-RIBITYL-AMINO-2,4(1H,3H)-
PYRIMIDINEDIONE
A,B,C,D,E1T130.77
INI5-NITRO-6-RIBITYL-AMINO-2,4(1H,3H)-
PYRIMIDINEDIONE
A,B,C,D,E1KYY0.77