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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00009437

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CXLCYCLOHEXANOLA,B1HDX0.83
MHN6-METHYLHEPTAN-1-OLA,B1OYF0.74
HE2HEXAN-1-OLA1ZNE0.85
PL3HEXADECAN-1-OLA,B,C,D2UUU0.78
PL3HEXADECAN-1-OLA,B,C,D2UUV0.78
HEZHEXANE-1,6-DIOLA,B1X1V0.79
HEZHEXANE-1,6-DIOLA,B,C,D,E,F1M8T0.79
HEZHEXANE-1,6-DIOLA1J7K0.79
HEZHEXANE-1,6-DIOLA2IOR0.79
HEZHEXANE-1,6-DIOLA,D2NY20.79
HEZHEXANE-1,6-DIOLA2NY00.79
HEZHEXANE-1,6-DIOLA,B,C,D3CDO0.79
HEZHEXANE-1,6-DIOLA,B,C,D2NXZ0.79
HEZHEXANE-1,6-DIOLA,D2NY40.79
HEZHEXANE-1,6-DIOLA1P2V0.79
HEZHEXANE-1,6-DIOLA1NHZ0.79
HEZHEXANE-1,6-DIOLA,C,D,E,F,G2HY60.79
HEZHEXANE-1,6-DIOLA2NXY0.79
HEZHEXANE-1,6-DIOLA,B2VYP0.79
HEZHEXANE-1,6-DIOLA,B1JMT0.79
HEZHEXANE-1,6-DIOLA1U3C0.79
HEZHEXANE-1,6-DIOLA,B,C,D3G360.79
HEZHEXANE-1,6-DIOLA,B,C,D3EDC0.79
HEZHEXANE-1,6-DIOLA1QUH0.79
HEZHEXANE-1,6-DIOLA1IN40.79
HEZHEXANE-1,6-DIOLA,B,C,D1WXW0.79
HEZHEXANE-1,6-DIOLA,B3EV10.79
HEZHEXANE-1,6-DIOLA,B,D2WIW0.79
HEZHEXANE-1,6-DIOLA,B,C,D1IBY0.79
HEZHEXANE-1,6-DIOLA1QUD0.79
FOCFUCITOLA,B,C,D,E,F1FUI0.71
BU21,3-BUTANEDIOLA,B1LOL0.72
BU21,3-BUTANEDIOLA,B2RFM0.72
HE4HEPTAN-1-OLA1ZNG0.89
PE9PENTAN-1-OLA1ZND0.78
1BO1-BUTANOLX1YKY0.7
1BO1-BUTANOLA,B2HUU0.7
1BO1-BUTANOLA2VDG0.7
1BO1-BUTANOLA,B1OOH0.7
1BO1-BUTANOLC,D1OKX0.7
1BO1-BUTANOLA,B3ET20.7
1BO1-BUTANOLA,B3B6X0.7
1BO1-BUTANOLA1G4H0.7
1BO1-BUTANOLA,B2HUF0.7
F09NONAN-1-OLA,C2DWD0.83
F09NONAN-1-OLB,C1R3L0.83
F09NONAN-1-OLC,H1R3I0.83
F09NONAN-1-OLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V
1YCE0.83
F09NONAN-1-OLC2DWE0.83
F09NONAN-1-OLA,C2HVJ0.83
F09NONAN-1-OLB,C1R3J0.83
F09NONAN-1-OLC1K4D0.83
F09NONAN-1-OLA,C1K4C0.83
F09NONAN-1-OLC2ATK0.83
F09NONAN-1-OLA,C1ZWI0.83
F09NONAN-1-OLA1ZNK0.83
F09NONAN-1-OLB,C1S5H0.83
F09NONAN-1-OLA,C2HVK0.83
F09NONAN-1-OLA,C2P7T0.83
OC9OCTAN-1-OLA1ZNH0.83
OC9OCTAN-1-OLA2QHV0.83
HTOHEPTANE-1,2,3-TRIOLH,L,M2HH10.84
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWT0.84
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXK0.84
HTOHEPTANE-1,2,3-TRIOLH,L,M1RZH0.84
HTOHEPTANE-1,2,3-TRIOLH,L,M2HG30.84
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX30.84
HTOHEPTANE-1,2,3-TRIOLA2PIL0.84
HTOHEPTANE-1,2,3-TRIOLA,B1U190.84
HTOHEPTANE-1,2,3-TRIOLH,L,M2J8D0.84
HTOHEPTANE-1,2,3-TRIOLA,B,C,D3DTU0.84
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX40.84
HTOHEPTANE-1,2,3-TRIOLA,B1HZX0.84
HTOHEPTANE-1,2,3-TRIOLA,B2G870.84
HTOHEPTANE-1,2,3-TRIOLA,B2PED0.84
HTOHEPTANE-1,2,3-TRIOLC,H,L,M3D380.84
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWV0.84
HTOHEPTANE-1,2,3-TRIOLH,L,M1RG50.84
HTOHEPTANE-1,2,3-TRIOLA1KMO0.84
HTOHEPTANE-1,2,3-TRIOLC,H,L,M1L9B0.84
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWU0.84
HTOHEPTANE-1,2,3-TRIOLA1AY20.84
HTOHEPTANE-1,2,3-TRIOLA,B1RP00.84
HTOHEPTANE-1,2,3-TRIOLC,H,L,M2I5N0.84
HTOHEPTANE-1,2,3-TRIOLH,L,M2J8C0.84
HTOHEPTANE-1,2,3-TRIOLH,L,M2HJ60.84
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXJ0.84
HTOHEPTANE-1,2,3-TRIOLL,M1YF60.84
HTOHEPTANE-1,2,3-TRIOLB2BF30.84
HTOHEPTANE-1,2,3-TRIOLA,B2HPY0.84
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX50.84
HTOHEPTANE-1,2,3-TRIOLL,M,X2UXM0.84
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXL0.84
HTOHEPTANE-1,2,3-TRIOLA,B1L9H0.84
HTOHEPTANE-1,2,3-TRIOLA2HI20.84
HTOHEPTANE-1,2,3-TRIOLA,B,D,E,G,H,
J,K
1LGH0.84
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWW0.84
SBT2-BUTANOLA,B,C,D1BXZ0.74
SBT2-BUTANOLA2PLH0.74
DE1DECAN-1-OLA1ZNL0.83
RNTL-RHAMNITOLA,B,C,D1DE50.71
ODIOCTANE-1,8-DIOLA2DM50.77
1DO1-DODECANOLA,Z2CFZ0.83
HND(4S)-nonane-1,4-diolA2KAR0.84
HND(4S)-nonane-1,4-diolA2KAS0.84