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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00012258

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1BO1-BUTANOLX1YKY0.73
1BO1-BUTANOLA,B2HUU0.73
1BO1-BUTANOLA2VDG0.73
1BO1-BUTANOLA,B1OOH0.73
1BO1-BUTANOLC,D1OKX0.73
1BO1-BUTANOLA,B3ET20.73
1BO1-BUTANOLA,B3B6X0.73
1BO1-BUTANOLA1G4H0.73
1BO1-BUTANOLA,B2HUF0.73
HND(4S)-nonane-1,4-diolA2KAR0.81
HND(4S)-nonane-1,4-diolA2KAS0.81
BU21,3-BUTANEDIOLA,B1LOL0.75
BU21,3-BUTANEDIOLA,B2RFM0.75
CXLCYCLOHEXANOLA,B1HDX0.79
PL3HEXADECAN-1-OLA,B,C,D2UUU0.75
PL3HEXADECAN-1-OLA,B,C,D2UUV0.75
F09NONAN-1-OLA,C2DWD0.8
F09NONAN-1-OLB,C1R3L0.8
F09NONAN-1-OLC,H1R3I0.8
F09NONAN-1-OLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V
1YCE0.8
F09NONAN-1-OLC2DWE0.8
F09NONAN-1-OLA,C2HVJ0.8
F09NONAN-1-OLB,C1R3J0.8
F09NONAN-1-OLC1K4D0.8
F09NONAN-1-OLA,C1K4C0.8
F09NONAN-1-OLC2ATK0.8
F09NONAN-1-OLA,C1ZWI0.8
F09NONAN-1-OLA1ZNK0.8
F09NONAN-1-OLB,C1S5H0.8
F09NONAN-1-OLA,C2HVK0.8
F09NONAN-1-OLA,C2P7T0.8
HE4HEPTAN-1-OLA1ZNG0.86
HTOHEPTANE-1,2,3-TRIOLH,L,M2HH10.81
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWT0.81
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXK0.81
HTOHEPTANE-1,2,3-TRIOLH,L,M1RZH0.81
HTOHEPTANE-1,2,3-TRIOLH,L,M2HG30.81
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX30.81
HTOHEPTANE-1,2,3-TRIOLA2PIL0.81
HTOHEPTANE-1,2,3-TRIOLA,B1U190.81
HTOHEPTANE-1,2,3-TRIOLH,L,M2J8D0.81
HTOHEPTANE-1,2,3-TRIOLA,B,C,D3DTU0.81
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX40.81
HTOHEPTANE-1,2,3-TRIOLA,B1HZX0.81
HTOHEPTANE-1,2,3-TRIOLA,B2G870.81
HTOHEPTANE-1,2,3-TRIOLA,B2PED0.81
HTOHEPTANE-1,2,3-TRIOLC,H,L,M3D380.81
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWV0.81
HTOHEPTANE-1,2,3-TRIOLH,L,M1RG50.81
HTOHEPTANE-1,2,3-TRIOLA1KMO0.81
HTOHEPTANE-1,2,3-TRIOLC,H,L,M1L9B0.81
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWU0.81
HTOHEPTANE-1,2,3-TRIOLA1AY20.81
HTOHEPTANE-1,2,3-TRIOLA,B1RP00.81
HTOHEPTANE-1,2,3-TRIOLC,H,L,M2I5N0.81
HTOHEPTANE-1,2,3-TRIOLH,L,M2J8C0.81
HTOHEPTANE-1,2,3-TRIOLH,L,M2HJ60.81
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXJ0.81
HTOHEPTANE-1,2,3-TRIOLL,M1YF60.81
HTOHEPTANE-1,2,3-TRIOLB2BF30.81
HTOHEPTANE-1,2,3-TRIOLA,B2HPY0.81
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX50.81
HTOHEPTANE-1,2,3-TRIOLL,M,X2UXM0.81
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXL0.81
HTOHEPTANE-1,2,3-TRIOLA,B1L9H0.81
HTOHEPTANE-1,2,3-TRIOLA2HI20.81
HTOHEPTANE-1,2,3-TRIOLA,B,D,E,G,H,
J,K
1LGH0.81
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWW0.81
ODIOCTANE-1,8-DIOLA2DM50.74
DE1DECAN-1-OLA1ZNL0.8
OC9OCTAN-1-OLA1ZNH0.8
OC9OCTAN-1-OLA2QHV0.8
PE9PENTAN-1-OLA1ZND0.81
1DO1-DODECANOLA,Z2CFZ0.8
HE2HEXAN-1-OLA1ZNE0.81
HEZHEXANE-1,6-DIOLA,B1X1V0.75
HEZHEXANE-1,6-DIOLA,B,C,D,E,F1M8T0.75
HEZHEXANE-1,6-DIOLA1J7K0.75
HEZHEXANE-1,6-DIOLA2IOR0.75
HEZHEXANE-1,6-DIOLA,D2NY20.75
HEZHEXANE-1,6-DIOLA2NY00.75
HEZHEXANE-1,6-DIOLA,B,C,D3CDO0.75
HEZHEXANE-1,6-DIOLA,B,C,D2NXZ0.75
HEZHEXANE-1,6-DIOLA,D2NY40.75
HEZHEXANE-1,6-DIOLA1P2V0.75
HEZHEXANE-1,6-DIOLA1NHZ0.75
HEZHEXANE-1,6-DIOLA,C,D,E,F,G2HY60.75
HEZHEXANE-1,6-DIOLA2NXY0.75
HEZHEXANE-1,6-DIOLA,B2VYP0.75
HEZHEXANE-1,6-DIOLA,B1JMT0.75
HEZHEXANE-1,6-DIOLA1U3C0.75
HEZHEXANE-1,6-DIOLA,B,C,D3G360.75
HEZHEXANE-1,6-DIOLA,B,C,D3EDC0.75
HEZHEXANE-1,6-DIOLA1QUH0.75
HEZHEXANE-1,6-DIOLA1IN40.75
HEZHEXANE-1,6-DIOLA,B,C,D1WXW0.75
HEZHEXANE-1,6-DIOLA,B3EV10.75
HEZHEXANE-1,6-DIOLA,B,D2WIW0.75
HEZHEXANE-1,6-DIOLA,B,C,D1IBY0.75
HEZHEXANE-1,6-DIOLA1QUD0.75
MHN6-METHYLHEPTAN-1-OLA,B1OYF0.71
SBT2-BUTANOLA,B,C,D1BXZ0.77
SBT2-BUTANOLA2PLH0.77