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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00010947

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DE1DECAN-1-OLA1ZNL0.75
PL3HEXADECAN-1-OLA,B,C,D2UUU0.7
PL3HEXADECAN-1-OLA,B,C,D2UUV0.7
OC9OCTAN-1-OLA1ZNH0.75
OC9OCTAN-1-OLA2QHV0.75
IP31-HYDROXY-3-METHYLBUTANEA,B1HRN0.79
IP31-HYDROXY-3-METHYLBUTANEA,B1BIL0.79
BHL6-BROMOHEXAN-1-OLA,B,C1XVB0.71
1DO1-DODECANOLA,Z2CFZ0.75
HE2HEXAN-1-OLA1ZNE0.91
PE9PENTAN-1-OLA1ZND1
HEZHEXANE-1,6-DIOLA,B1X1V0.83
HEZHEXANE-1,6-DIOLA,B,C,D,E,F1M8T0.83
HEZHEXANE-1,6-DIOLA1J7K0.83
HEZHEXANE-1,6-DIOLA2IOR0.83
HEZHEXANE-1,6-DIOLA,D2NY20.83
HEZHEXANE-1,6-DIOLA2NY00.83
HEZHEXANE-1,6-DIOLA,B,C,D3CDO0.83
HEZHEXANE-1,6-DIOLA,B,C,D2NXZ0.83
HEZHEXANE-1,6-DIOLA,D2NY40.83
HEZHEXANE-1,6-DIOLA1P2V0.83
HEZHEXANE-1,6-DIOLA1NHZ0.83
HEZHEXANE-1,6-DIOLA,C,D,E,F,G2HY60.83
HEZHEXANE-1,6-DIOLA2NXY0.83
HEZHEXANE-1,6-DIOLA,B2VYP0.83
HEZHEXANE-1,6-DIOLA,B1JMT0.83
HEZHEXANE-1,6-DIOLA1U3C0.83
HEZHEXANE-1,6-DIOLA,B,C,D3G360.83
HEZHEXANE-1,6-DIOLA,B,C,D3EDC0.83
HEZHEXANE-1,6-DIOLA1QUH0.83
HEZHEXANE-1,6-DIOLA1IN40.83
HEZHEXANE-1,6-DIOLA,B,C,D1WXW0.83
HEZHEXANE-1,6-DIOLA,B3EV10.83
HEZHEXANE-1,6-DIOLA,B,D2WIW0.83
HEZHEXANE-1,6-DIOLA,B,C,D1IBY0.83
HEZHEXANE-1,6-DIOLA1QUD0.83
BU21,3-BUTANEDIOLA,B1LOL0.76
BU21,3-BUTANEDIOLA,B2RFM0.76
1BO1-BUTANOLX1YKY0.9
1BO1-BUTANOLA,B2HUU0.9
1BO1-BUTANOLA2VDG0.9
1BO1-BUTANOLA,B1OOH0.9
1BO1-BUTANOLC,D1OKX0.9
1BO1-BUTANOLA,B3ET20.9
1BO1-BUTANOLA,B3B6X0.9
1BO1-BUTANOLA1G4H0.9
1BO1-BUTANOLA,B2HUF0.9
CXLCYCLOHEXANOLA,B1HDX0.74
BU11,4-BUTANEDIOLA2BAB0.78
BU11,4-BUTANEDIOLA,B2HW80.78
BU11,4-BUTANEDIOLA2B9Y0.78
BU11,4-BUTANEDIOLA1M8R0.78
BU11,4-BUTANEDIOLA,B,C3FNK0.78
BU11,4-BUTANEDIOLA,B1TZP0.78
BU11,4-BUTANEDIOLA1M8S0.78
BU11,4-BUTANEDIOLA1VIO0.78
BU11,4-BUTANEDIOLA2W620.78
BU11,4-BUTANEDIOLA2RH10.78
BU11,4-BUTANEDIOLA,B,C3CED0.78
BU11,4-BUTANEDIOLA1BK90.78
BU11,4-BUTANEDIOLA1X9D0.78
F09NONAN-1-OLA,C2DWD0.75
F09NONAN-1-OLB,C1R3L0.75
F09NONAN-1-OLC,H1R3I0.75
F09NONAN-1-OLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V
1YCE0.75
F09NONAN-1-OLC2DWE0.75
F09NONAN-1-OLA,C2HVJ0.75
F09NONAN-1-OLB,C1R3J0.75
F09NONAN-1-OLC1K4D0.75
F09NONAN-1-OLA,C1K4C0.75
F09NONAN-1-OLC2ATK0.75
F09NONAN-1-OLA,C1ZWI0.75
F09NONAN-1-OLA1ZNK0.75
F09NONAN-1-OLB,C1S5H0.75
F09NONAN-1-OLA,C2HVK0.75
F09NONAN-1-OLA,C2P7T0.75
SBT2-BUTANOLA,B,C,D1BXZ0.78
SBT2-BUTANOLA2PLH0.78
POLN-PROPANOLA,B1AL40.81
POLN-PROPANOLA2Q1P0.81
POLN-PROPANOLA,B,C,D,E3DWQ0.81
POLN-PROPANOLA1JSE0.81
POLN-PROPANOLA,B1OOG0.81
POLN-PROPANOLA,B3CL10.81
HE4HEPTAN-1-OLA1ZNG0.81