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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03213564

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FDPFRUCTOSE-2,6-DIPHOSPHATEA,B2QVU0.71
FDPFRUCTOSE-2,6-DIPHOSPHATEA,B1FRP0.71
FDPFRUCTOSE-2,6-DIPHOSPHATEB2I1V0.71
FDPFRUCTOSE-2,6-DIPHOSPHATEA2QVR0.71
FDPFRUCTOSE-2,6-DIPHOSPHATEA,B1FPB0.71
FDPFRUCTOSE-2,6-DIPHOSPHATEA,B2QVV0.71
FDPFRUCTOSE-2,6-DIPHOSPHATEA,B3FBP0.71
AFPALPHA FRUCTOSE 1,6-DIPHOSPHATEA,B1FBH0.71
AFPALPHA FRUCTOSE 1,6-DIPHOSPHATEA1LLC0.71
5IP(1R,2R,3R,4R,5S,6S)-6-HYDROXYCYCLOHEXANE-
1,2,3,4,5-PENTAYL PENTAKIS[DIHYDROGEN (PHOSPHATE)]
A2I5F0.72
PCP1-ALPHA-PYROPHOSPHORYL-2-ALPHA,3-
ALPHA-DIHYDROXY-4-BETA-CYCLOPENTANE-
METHANOL-5-PHOSPHATE
A,B,C,D,E,F2I140.94
PCP1-ALPHA-PYROPHOSPHORYL-2-ALPHA,3-
ALPHA-DIHYDROXY-4-BETA-CYCLOPENTANE-
METHANOL-5-PHOSPHATE
A,B,C,D1A960.94
PCP1-ALPHA-PYROPHOSPHORYL-2-ALPHA,3-
ALPHA-DIHYDROXY-4-BETA-CYCLOPENTANE-
METHANOL-5-PHOSPHATE
A,B,C,D1P4A0.94
PCP1-ALPHA-PYROPHOSPHORYL-2-ALPHA,3-
ALPHA-DIHYDROXY-4-BETA-CYCLOPENTANE-
METHANOL-5-PHOSPHATE
A,B,C,D1A950.94
PCP1-ALPHA-PYROPHOSPHORYL-2-ALPHA,3-
ALPHA-DIHYDROXY-4-BETA-CYCLOPENTANE-
METHANOL-5-PHOSPHATE
A,B1ECC0.94
PCP1-ALPHA-PYROPHOSPHORYL-2-ALPHA,3-
ALPHA-DIHYDROXY-4-BETA-CYCLOPENTANE-
METHANOL-5-PHOSPHATE
A1YTE0.94
IP5(1R,2S,3R,4S,5S,6R)-6-HYDROXYCYCLOHEXANE-
1,2,3,4,5-PENTAYL PENTAKIS[DIHYDROGEN (PHOSPHATE)]
A,B,C2I5C0.72
S6PD-SORBITOL-6-PHOSPHATEA,B2CXQ0.81
S6PD-SORBITOL-6-PHOSPHATEA,B1XTB0.81
S6PD-SORBITOL-6-PHOSPHATEA,B2GC10.81
S6PD-SORBITOL-6-PHOSPHATEA,B,C,D,E,F3CTL0.81
DG62-DEOXY-GLUCITOL-6-PHOSPHATEA,B1JKI0.81
XDPD-XYLULOSE-2,2-DIOL-1,5-BISPHOSPHATEB,E,H,K,L,O,
R,V
1RCO0.72
CIPINOSITOL-2-METHYLENE-1,2-CYCLIC-
MONOPHOSPHATE
A,B1DJW0.79
LXPL-XYLITOL 5-PHOSPHATEA,B1Q6Q0.75
F2P1,6-DI-O-PHOSPHONO-D-ALLITOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T
2QJG0.78
F2P1,6-DI-O-PHOSPHONO-D-ALLITOLA,B,C,D,E,F,
G,H,I,J
1W8R0.78
FBPBETA-FRUCTOSE-1,6-DIPHOSPHATEA2R8T0.71
FBPBETA-FRUCTOSE-1,6-DIPHOSPHATEA,B,C,D2VGF0.71
FBPBETA-FRUCTOSE-1,6-DIPHOSPHATER,T1LTH0.71
FBPBETA-FRUCTOSE-1,6-DIPHOSPHATEA,B1A3W0.71
FBPBETA-FRUCTOSE-1,6-DIPHOSPHATEA,B,C,D,E,F,
G,H
1LDN0.71
FBPBETA-FRUCTOSE-1,6-DIPHOSPHATEA,B,C,D1T5A0.71
FBPBETA-FRUCTOSE-1,6-DIPHOSPHATEO,Z1BO50.71
FBPBETA-FRUCTOSE-1,6-DIPHOSPHATEA3D1R0.71
FBPBETA-FRUCTOSE-1,6-DIPHOSPHATEA,B,C,D3GQY0.71
FBPBETA-FRUCTOSE-1,6-DIPHOSPHATEA,B,C,D2VGG0.71
FBPBETA-FRUCTOSE-1,6-DIPHOSPHATEA,B,C,D3GR40.71
FBPBETA-FRUCTOSE-1,6-DIPHOSPHATEA,B3BXF0.71
FBPBETA-FRUCTOSE-1,6-DIPHOSPHATEA,B,C,D3BJF0.71
FBPBETA-FRUCTOSE-1,6-DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J
1W8S0.71
FBPBETA-FRUCTOSE-1,6-DIPHOSPHATEA,B2Q8M0.71
FBPBETA-FRUCTOSE-1,6-DIPHOSPHATEG,L2NZV0.71
FBPBETA-FRUCTOSE-1,6-DIPHOSPHATEA,B1PFK0.71
FBPBETA-FRUCTOSE-1,6-DIPHOSPHATEA,B,C,D2VGB0.71
FBPBETA-FRUCTOSE-1,6-DIPHOSPHATEA,B,C,D2VGI0.71
FBPBETA-FRUCTOSE-1,6-DIPHOSPHATEA1A5Z0.71
FBPBETA-FRUCTOSE-1,6-DIPHOSPHATEA,B2F480.71
FBPBETA-FRUCTOSE-1,6-DIPHOSPHATEA,B1LBZ0.71
FBPBETA-FRUCTOSE-1,6-DIPHOSPHATEA,B1FBH0.71
FBPBETA-FRUCTOSE-1,6-DIPHOSPHATEA,B,C,D3H6O0.71
FBPBETA-FRUCTOSE-1,6-DIPHOSPHATEA,B,C,D2LDB0.71
I4P(1S,3R,4R,6S)-1,3,4,6-TETRAPKISPHOSPHATEX1Z2O0.72
HCX(SOUTH) BICYCLO[3.1.0]HEXANEA,D1SKM0.75
R5PRIBOSE-5-PHOSPHATEA,B,C,D1U9Z0.75
R5PRIBOSE-5-PHOSPHATEA1V8T0.75
R5PRIBOSE-5-PHOSPHATEA,B1ZHA0.75
R5PRIBOSE-5-PHOSPHATEA,B1ZJI0.75
R5PRIBOSE-5-PHOSPHATEA,B1JCY0.75
R5PRIBOSE-5-PHOSPHATEA,B2R5N0.75
I2PD-MYO-INOSITOL-2,4,5-TRIPHOSPHATEA,B1DJY0.76
FDQD-GLUCO-2,5-ANHYDRO-1-DEOXY-1-PHOSPHONOHEXITOL-
6-PHOSPHATE
A1C810.73
IPDD-MYO-INOSITOL-1-PHOSPHATEA,B1IMA0.78
IPDD-MYO-INOSITOL-1-PHOSPHATEA,B1G0H0.78
IPDD-MYO-INOSITOL-1-PHOSPHATEA,B,C2ORK0.78
IPDD-MYO-INOSITOL-1-PHOSPHATEA,B1AWB0.78
IPDD-MYO-INOSITOL-1-PHOSPHATEA,B1LBX0.78
2IPD-MYO-INOSITOL-1,4-BISPHOSPHATEA1I9Z0.76
IP2D-MYO-INOSITOL-4,5-BISPHOSPHATEA1HG20.76
IP2D-MYO-INOSITOL-4,5-BISPHOSPHATEA,B1DJZ0.76
F6PFRUCTOSE-6-PHOSPHATEA,B1FJ90.73
F6PFRUCTOSE-6-PHOSPHATEA,B1Q9D0.73
F6PFRUCTOSE-6-PHOSPHATEA1NV50.73
F6PFRUCTOSE-6-PHOSPHATEA1NUY0.73
F6PFRUCTOSE-6-PHOSPHATEA,B1HOX0.73
F6PFRUCTOSE-6-PHOSPHATEA2OX30.73
F6PFRUCTOSE-6-PHOSPHATEA1NV60.73
F6PFRUCTOSE-6-PHOSPHATEA1YXI0.73
F6PFRUCTOSE-6-PHOSPHATEA4PFK0.73
F6PFRUCTOSE-6-PHOSPHATEA1EYI0.73
F6PFRUCTOSE-6-PHOSPHATEA2AXN0.73
F6PFRUCTOSE-6-PHOSPHATEA,F1KZ80.73
F6PFRUCTOSE-6-PHOSPHATEA,F1LEV0.73
F6PFRUCTOSE-6-PHOSPHATEA,B1TIP0.73
F6PFRUCTOSE-6-PHOSPHATEA3H1Y0.73
F6PFRUCTOSE-6-PHOSPHATEA,B,C,D,E,F,
G,H
1MTO0.73
F6PFRUCTOSE-6-PHOSPHATEA1NV00.73
F6PFRUCTOSE-6-PHOSPHATEA1CNQ0.73
F6PFRUCTOSE-6-PHOSPHATEA,B1FSA0.73
F6PFRUCTOSE-6-PHOSPHATEA,B2F3H0.73
F6PFRUCTOSE-6-PHOSPHATEA2OWZ0.73
F6PFRUCTOSE-6-PHOSPHATEA2DWO0.73
F6PFRUCTOSE-6-PHOSPHATEA2F3B0.73
F6PFRUCTOSE-6-PHOSPHATEA,B1EYJ0.73
F6PFRUCTOSE-6-PHOSPHATEA1NUW0.73
F6PFRUCTOSE-6-PHOSPHATEA,B5FBP0.73
F6PFRUCTOSE-6-PHOSPHATEA,B1LBY0.73
F6PFRUCTOSE-6-PHOSPHATEB2I1V0.73
F6PFRUCTOSE-6-PHOSPHATEA1T100.73
F6PFRUCTOSE-6-PHOSPHATEA1NV20.73
F6PFRUCTOSE-6-PHOSPHATEA,B3BXH0.73
F6PFRUCTOSE-6-PHOSPHATEA2R660.73
F6PFRUCTOSE-6-PHOSPHATEA1NUZ0.73
F6PFRUCTOSE-6-PHOSPHATEA2DWP0.73
F6PFRUCTOSE-6-PHOSPHATEA,B1NV70.73
F6PFRUCTOSE-6-PHOSPHATEA,B1FBP0.73
F6PFRUCTOSE-6-PHOSPHATEA,B1RDZ0.73
F6PFRUCTOSE-6-PHOSPHATEA1NV10.73
F6PFRUCTOSE-6-PHOSPHATEA,B2BIF0.73
F6PFRUCTOSE-6-PHOSPHATEA,B1EYK0.73
F6PFRUCTOSE-6-PHOSPHATEA,B1RDY0.73
F6PFRUCTOSE-6-PHOSPHATEA1FJ60.73
F6PFRUCTOSE-6-PHOSPHATEA1NV30.73
F6PFRUCTOSE-6-PHOSPHATEA,B2CXT0.73
F6PFRUCTOSE-6-PHOSPHATEA2F3D0.73
F6PFRUCTOSE-6-PHOSPHATEA,B2CXS0.73
F6PFRUCTOSE-6-PHOSPHATEA,B1RDX0.73
F6PFRUCTOSE-6-PHOSPHATEA1NUX0.73
F6PFRUCTOSE-6-PHOSPHATEA1YYZ0.73
F6PFRUCTOSE-6-PHOSPHATEA1UXR0.73
F6PFRUCTOSE-6-PHOSPHATEA,B1YZ00.73
F6PFRUCTOSE-6-PHOSPHATEA1NV40.73
AHM2,5-ANHYDROMANNITOL-1,6-DIPHOSPHATEA,B1FBG0.75
AHM2,5-ANHYDROMANNITOL-1,6-DIPHOSPHATEA,B1FBF0.75
CAK[(1R,2R,3S,4S,5R)-2,3,4,5-TETRAHYDROXYCYCLOHEXYL]METHYL DIHYDROGEN PHOSPHATEA,B2GRU0.87
YLL(1R,2S,3S,4S,5R,6R)-6-(HYDROXYMETHYL)CYCLOHEXANE-
1,2,3,4,5-PENTOL
A,B2JAL0.73
M2PD-MANNITOL-1,6-DIPHOSPHATEA2Q8J0.78
M2PD-MANNITOL-1,6-DIPHOSPHATEA,B,C,D2QDH0.78
M2PD-MANNITOL-1,6-DIPHOSPHATEA,B,C,D1ZAJ0.78
DXD(1S,3S,4R)-4-(PHOSPHOOXYMETHYL)-
CYCLOPENTANE-1,3-DIOL
A1XCY0.9
DX5D-XYLITOL-5-PHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L
2FLI0.75
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA1U270.72
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA1FAO0.72
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA2UZS0.72
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA1H100.72
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA,B2R0D0.72
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA,B1B550.72
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA1W1D0.72
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA,B1BWN0.72
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA,B1W2D0.72
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA,B1FHX0.72
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA,B2R090.72
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA1UNQ0.72
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA1UPR0.72
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA1FGY0.72
I3S(1S,3S,4S)-1,3,4-TRIPHOSPHO-MYO-
INOSITOL
X1Z2P0.76
I3S(1S,3S,4S)-1,3,4-TRIPHOSPHO-MYO-
INOSITOL
A2P0H0.76
AHG2,5-ANHYDROGLUCITOL-1,6-BIPHOSPHATEA,B1FBD0.75
AHG2,5-ANHYDROGLUCITOL-1,6-BIPHOSPHATEA,B1FBE0.75
AHG2,5-ANHYDROGLUCITOL-1,6-BIPHOSPHATEA,B1FPE0.75
AHG2,5-ANHYDROGLUCITOL-1,6-BIPHOSPHATEA,B1FPD0.75
AHG2,5-ANHYDROGLUCITOL-1,6-BIPHOSPHATEA,B1FBC0.75
AHG2,5-ANHYDROGLUCITOL-1,6-BIPHOSPHATEA,B1FPG0.75
AHG2,5-ANHYDROGLUCITOL-1,6-BIPHOSPHATEA,B1FPL0.75
AHG2,5-ANHYDROGLUCITOL-1,6-BIPHOSPHATEA,B1FPI0.75
AHG2,5-ANHYDROGLUCITOL-1,6-BIPHOSPHATEA,B1FPJ0.75
AHG2,5-ANHYDROGLUCITOL-1,6-BIPHOSPHATEA,B1FPF0.75
FPCD-FRUCTOSE-6-PHOSPHATE (OPEN FORM)A,B1FQO0.81
FPCD-FRUCTOSE-6-PHOSPHATE (OPEN FORM)A,B2GC20.81
A5PARABINOSE-5-PHOSPHATEA1UJ60.75
A5PARABINOSE-5-PHOSPHATEA,B1FXQ0.75
A5PARABINOSE-5-PHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L
2NX30.75
A5PARABINOSE-5-PHOSPHATEA,B1LRQ0.75
A5PARABINOSE-5-PHOSPHATEA,B2CXP0.75
A5PARABINOSE-5-PHOSPHATEA,B1T8X0.75
A5PARABINOSE-5-PHOSPHATEA,B2EF90.75
A5PARABINOSE-5-PHOSPHATEA,B1FY60.75
A5PARABINOSE-5-PHOSPHATEA,B2NWS0.75
A5PARABINOSE-5-PHOSPHATEA,B2NXG0.75
A5PARABINOSE-5-PHOSPHATEA,B2A2I0.75
A5PARABINOSE-5-PHOSPHATEA,B1FWW0.75
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA1H0A0.76
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA1NU20.76
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA1GC60.76
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA1MAI0.76
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA2P0D0.76
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA,B1OQN0.76
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA1U290.76
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA,B1W2C0.76
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA,B1DJX0.76
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA2A980.76
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA1N4K0.76
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA,B3C5N0.76
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA1BTN0.76
HPD1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHATEA,C1L1T0.73
HPD1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHATEA,C1L2D0.73
HPD1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHATEA,B1JCJ0.73
HPD1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHATEA,B1JCL0.73
HPD1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHATEA,B,C1RRS0.73
HPD1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHATEA,C1L2C0.73
HPD1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHATEA,B,C1VRL0.73
HPD1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHATEA,B,C,D1UB30.73
DXN(1R,3S,4R)-4-(PHOSPHOOXYMETHYL)-
CYCLOPENTANE-1,3-DIOL
A1XCZ0.9
I5PINOSITOL-(1,3,4,5,6)-PENTAKISPHOSPHATEA,B1FHW0.72
LIPL-MYO-INOSITOL-1-PHOSPHATEA,B1IMB0.78
LIPL-MYO-INOSITOL-1-PHOSPHATEA,B3C4V0.78
TA6TAGATOSE-6-PHOSPHATEA,B,C,D2JG10.73
TA6TAGATOSE-6-PHOSPHATEA2CIS0.73
ITPPHOSPHORIC ACID MONO-(2,3,4,6-TETRAHYDROXY-
5-PHOSPHONOOXY-CYCLOHEXYL) ESTER
A,B1JOC0.76
ITPPHOSPHORIC ACID MONO-(2,3,4,6-TETRAHYDROXY-
5-PHOSPHONOOXY-CYCLOHEXYL) ESTER
A1HYI0.76