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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00009176

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BU21,3-BUTANEDIOLA,B1LOL0.7
BU21,3-BUTANEDIOLA,B2RFM0.7
F09NONAN-1-OLA,C2DWD0.76
F09NONAN-1-OLB,C1R3L0.76
F09NONAN-1-OLC,H1R3I0.76
F09NONAN-1-OLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V
1YCE0.76
F09NONAN-1-OLC2DWE0.76
F09NONAN-1-OLA,C2HVJ0.76
F09NONAN-1-OLB,C1R3J0.76
F09NONAN-1-OLC1K4D0.76
F09NONAN-1-OLA,C1K4C0.76
F09NONAN-1-OLC2ATK0.76
F09NONAN-1-OLA,C1ZWI0.76
F09NONAN-1-OLA1ZNK0.76
F09NONAN-1-OLB,C1S5H0.76
F09NONAN-1-OLA,C2HVK0.76
F09NONAN-1-OLA,C2P7T0.76
1BO1-BUTANOLX1YKY0.75
1BO1-BUTANOLA,B2HUU0.75
1BO1-BUTANOLA2VDG0.75
1BO1-BUTANOLA,B1OOH0.75
1BO1-BUTANOLC,D1OKX0.75
1BO1-BUTANOLA,B3ET20.75
1BO1-BUTANOLA,B3B6X0.75
1BO1-BUTANOLA1G4H0.75
1BO1-BUTANOLA,B2HUF0.75
ODIOCTANE-1,8-DIOLA2DM50.82
BHL6-BROMOHEXAN-1-OLA,B,C1XVB0.79
HE2HEXAN-1-OLA1ZNE0.92
BU11,4-BUTANEDIOLA2BAB0.79
BU11,4-BUTANEDIOLA,B2HW80.79
BU11,4-BUTANEDIOLA2B9Y0.79
BU11,4-BUTANEDIOLA1M8R0.79
BU11,4-BUTANEDIOLA,B,C3FNK0.79
BU11,4-BUTANEDIOLA,B1TZP0.79
BU11,4-BUTANEDIOLA1M8S0.79
BU11,4-BUTANEDIOLA1VIO0.79
BU11,4-BUTANEDIOLA2W620.79
BU11,4-BUTANEDIOLA2RH10.79
BU11,4-BUTANEDIOLA,B,C3CED0.79
BU11,4-BUTANEDIOLA1BK90.79
BU11,4-BUTANEDIOLA1X9D0.79
MTLD-MANNITOLA,B1ZZU0.72
MTLD-MANNITOLA,B1ZZQ0.72
MTLD-MANNITOLA,B1M2W0.72
MTLD-MANNITOLA2VFU0.72
CXLCYCLOHEXANOLA,B1HDX0.81
1DO1-DODECANOLA,Z2CFZ0.76
PL3HEXADECAN-1-OLA,B,C,D2UUU0.71
PL3HEXADECAN-1-OLA,B,C,D2UUV0.71
HEZHEXANE-1,6-DIOLA,B1X1V1
HEZHEXANE-1,6-DIOLA,B,C,D,E,F1M8T1
HEZHEXANE-1,6-DIOLA1J7K1
HEZHEXANE-1,6-DIOLA2IOR1
HEZHEXANE-1,6-DIOLA,D2NY21
HEZHEXANE-1,6-DIOLA2NY01
HEZHEXANE-1,6-DIOLA,B,C,D3CDO1
HEZHEXANE-1,6-DIOLA,B,C,D2NXZ1
HEZHEXANE-1,6-DIOLA,D2NY41
HEZHEXANE-1,6-DIOLA1P2V1
HEZHEXANE-1,6-DIOLA1NHZ1
HEZHEXANE-1,6-DIOLA,C,D,E,F,G2HY61
HEZHEXANE-1,6-DIOLA2NXY1
HEZHEXANE-1,6-DIOLA,B2VYP1
HEZHEXANE-1,6-DIOLA,B1JMT1
HEZHEXANE-1,6-DIOLA1U3C1
HEZHEXANE-1,6-DIOLA,B,C,D3G361
HEZHEXANE-1,6-DIOLA,B,C,D3EDC1
HEZHEXANE-1,6-DIOLA1QUH1
HEZHEXANE-1,6-DIOLA1IN41
HEZHEXANE-1,6-DIOLA,B,C,D1WXW1
HEZHEXANE-1,6-DIOLA,B3EV11
HEZHEXANE-1,6-DIOLA,B,D2WIW1
HEZHEXANE-1,6-DIOLA,B,C,D1IBY1
HEZHEXANE-1,6-DIOLA1QUD1
PE9PENTAN-1-OLA1ZND0.83
HND(4S)-nonane-1,4-diolA2KAR0.72
HND(4S)-nonane-1,4-diolA2KAS0.72
DE1DECAN-1-OLA1ZNL0.76
HTOHEPTANE-1,2,3-TRIOLH,L,M2HH10.72
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWT0.72
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXK0.72
HTOHEPTANE-1,2,3-TRIOLH,L,M1RZH0.72
HTOHEPTANE-1,2,3-TRIOLH,L,M2HG30.72
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX30.72
HTOHEPTANE-1,2,3-TRIOLA2PIL0.72
HTOHEPTANE-1,2,3-TRIOLA,B1U190.72
HTOHEPTANE-1,2,3-TRIOLH,L,M2J8D0.72
HTOHEPTANE-1,2,3-TRIOLA,B,C,D3DTU0.72
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX40.72
HTOHEPTANE-1,2,3-TRIOLA,B1HZX0.72
HTOHEPTANE-1,2,3-TRIOLA,B2G870.72
HTOHEPTANE-1,2,3-TRIOLA,B2PED0.72
HTOHEPTANE-1,2,3-TRIOLC,H,L,M3D380.72
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWV0.72
HTOHEPTANE-1,2,3-TRIOLH,L,M1RG50.72
HTOHEPTANE-1,2,3-TRIOLA1KMO0.72
HTOHEPTANE-1,2,3-TRIOLC,H,L,M1L9B0.72
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWU0.72
HTOHEPTANE-1,2,3-TRIOLA1AY20.72
HTOHEPTANE-1,2,3-TRIOLA,B1RP00.72
HTOHEPTANE-1,2,3-TRIOLC,H,L,M2I5N0.72
HTOHEPTANE-1,2,3-TRIOLH,L,M2J8C0.72
HTOHEPTANE-1,2,3-TRIOLH,L,M2HJ60.72
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXJ0.72
HTOHEPTANE-1,2,3-TRIOLL,M1YF60.72
HTOHEPTANE-1,2,3-TRIOLB2BF30.72
HTOHEPTANE-1,2,3-TRIOLA,B2HPY0.72
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX50.72
HTOHEPTANE-1,2,3-TRIOLL,M,X2UXM0.72
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXL0.72
HTOHEPTANE-1,2,3-TRIOLA,B1L9H0.72
HTOHEPTANE-1,2,3-TRIOLA2HI20.72
HTOHEPTANE-1,2,3-TRIOLA,B,D,E,G,H,
J,K
1LGH0.72
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWW0.72
PDO1,3-PROPANDIOLA1ZV90.71
PDO1,3-PROPANDIOLA1NAI0.71
PDO1,3-PROPANDIOLF1MR30.71
PDO1,3-PROPANDIOLA,B,C3FNK0.71
PDO1,3-PROPANDIOLA2O2I0.71
PDO1,3-PROPANDIOLA1D070.71
PDO1,3-PROPANDIOLA1IZ80.71
PDO1,3-PROPANDIOLA,H1BTW0.71
SORD-SORBITOLA1FQA0.72
SORD-SORBITOLA,B,C,D3XIM0.72
SORD-SORBITOLA2VFT0.72
SORD-SORBITOLA,B,C,D5XIM0.72
SORD-SORBITOLA3BRF0.72
SORD-SORBITOLA1XIH0.72
SORD-SORBITOLA2DXR0.72
SORD-SORBITOLA1D8C0.72
SORD-SORBITOLA,B,C,D2XIN0.72
SORD-SORBITOLA1FQB0.72
SORD-SORBITOLA,B4XIA0.72
OC9OCTAN-1-OLA1ZNH0.76
OC9OCTAN-1-OLA2QHV0.76
HE4HEPTAN-1-OLA1ZNG0.81