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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02369687

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DTLD-TREITOLA1H160.71
DTLD-TREITOLA1H170.71
DTLD-TREITOLA,C2AAW0.71
DTLD-TREITOLA,B1H180.71
IP31-HYDROXY-3-METHYLBUTANEA,B1HRN0.76
IP31-HYDROXY-3-METHYLBUTANEA,B1BIL0.76
HE2HEXAN-1-OLA1ZNE0.73
PDO1,3-PROPANDIOLA1ZV90.74
PDO1,3-PROPANDIOLA1NAI0.74
PDO1,3-PROPANDIOLF1MR30.74
PDO1,3-PROPANDIOLA,B,C3FNK0.74
PDO1,3-PROPANDIOLA2O2I0.74
PDO1,3-PROPANDIOLA1D070.74
PDO1,3-PROPANDIOLA1IZ80.74
PDO1,3-PROPANDIOLA,H1BTW0.74
1BO1-BUTANOLX1YKY0.86
1BO1-BUTANOLA,B2HUU0.86
1BO1-BUTANOLA2VDG0.86
1BO1-BUTANOLA,B1OOH0.86
1BO1-BUTANOLC,D1OKX0.86
1BO1-BUTANOLA,B3ET20.86
1BO1-BUTANOLA,B3B6X0.86
1BO1-BUTANOLA1G4H0.86
1BO1-BUTANOLA,B2HUF0.86
MRYMESO-ERYTHRITOLA,B1XPG0.71
MRYMESO-ERYTHRITOLA,B1T7L0.71
MRYMESO-ERYTHRITOLA,B1XDJ0.71
MRYMESO-ERYTHRITOLA,B1XR20.71
POLN-PROPANOLA,B1AL40.77
POLN-PROPANOLA2Q1P0.77
POLN-PROPANOLA,B,C,D,E3DWQ0.77
POLN-PROPANOLA1JSE0.77
POLN-PROPANOLA,B1OOG0.77
POLN-PROPANOLA,B3CL10.77
BU3(R,R)-2,3-BUTANEDIOLA,B2CL50.73
BU3(R,R)-2,3-BUTANEDIOLA1Z2U0.73
BU3(R,R)-2,3-BUTANEDIOLA,B1SMH0.73
BU3(R,R)-2,3-BUTANEDIOLA1XH90.73
BU3(R,R)-2,3-BUTANEDIOLA,B,C,D,E,F,
G,H
2F9P0.73
BU3(R,R)-2,3-BUTANEDIOLA2H900.73
BU3(R,R)-2,3-BUTANEDIOLA,B,C,D,E,F,
G,H
2F9N0.73
BU3(R,R)-2,3-BUTANEDIOLA,B1XH50.73
SBT2-BUTANOLA,B,C,D1BXZ0.75
SBT2-BUTANOLA2PLH0.75
BU11,4-BUTANEDIOLA2BAB0.91
BU11,4-BUTANEDIOLA,B2HW80.91
BU11,4-BUTANEDIOLA2B9Y0.91
BU11,4-BUTANEDIOLA1M8R0.91
BU11,4-BUTANEDIOLA,B,C3FNK0.91
BU11,4-BUTANEDIOLA,B1TZP0.91
BU11,4-BUTANEDIOLA1M8S0.91
BU11,4-BUTANEDIOLA1VIO0.91
BU11,4-BUTANEDIOLA2W620.91
BU11,4-BUTANEDIOLA2RH10.91
BU11,4-BUTANEDIOLA,B,C3CED0.91
BU11,4-BUTANEDIOLA1BK90.91
BU11,4-BUTANEDIOLA1X9D0.91
HEZHEXANE-1,6-DIOLA,B1X1V0.73
HEZHEXANE-1,6-DIOLA,B,C,D,E,F1M8T0.73
HEZHEXANE-1,6-DIOLA1J7K0.73
HEZHEXANE-1,6-DIOLA2IOR0.73
HEZHEXANE-1,6-DIOLA,D2NY20.73
HEZHEXANE-1,6-DIOLA2NY00.73
HEZHEXANE-1,6-DIOLA,B,C,D3CDO0.73
HEZHEXANE-1,6-DIOLA,B,C,D2NXZ0.73
HEZHEXANE-1,6-DIOLA,D2NY40.73
HEZHEXANE-1,6-DIOLA1P2V0.73
HEZHEXANE-1,6-DIOLA1NHZ0.73
HEZHEXANE-1,6-DIOLA,C,D,E,F,G2HY60.73
HEZHEXANE-1,6-DIOLA2NXY0.73
HEZHEXANE-1,6-DIOLA,B2VYP0.73
HEZHEXANE-1,6-DIOLA,B1JMT0.73
HEZHEXANE-1,6-DIOLA1U3C0.73
HEZHEXANE-1,6-DIOLA,B,C,D3G360.73
HEZHEXANE-1,6-DIOLA,B,C,D3EDC0.73
HEZHEXANE-1,6-DIOLA1QUH0.73
HEZHEXANE-1,6-DIOLA1IN40.73
HEZHEXANE-1,6-DIOLA,B,C,D1WXW0.73
HEZHEXANE-1,6-DIOLA,B3EV10.73
HEZHEXANE-1,6-DIOLA,B,D2WIW0.73
HEZHEXANE-1,6-DIOLA,B,C,D1IBY0.73
HEZHEXANE-1,6-DIOLA1QUD0.73
BU21,3-BUTANEDIOLA,B1LOL0.8
BU21,3-BUTANEDIOLA,B2RFM0.8
PE9PENTAN-1-OLA1ZND0.79