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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02862778

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HND(4S)-nonane-1,4-diolA2KAR0.71
HND(4S)-nonane-1,4-diolA2KAS0.71
HEZHEXANE-1,6-DIOLA,B1X1V0.81
HEZHEXANE-1,6-DIOLA,B,C,D,E,F1M8T0.81
HEZHEXANE-1,6-DIOLA1J7K0.81
HEZHEXANE-1,6-DIOLA2IOR0.81
HEZHEXANE-1,6-DIOLA,D2NY20.81
HEZHEXANE-1,6-DIOLA2NY00.81
HEZHEXANE-1,6-DIOLA,B,C,D3CDO0.81
HEZHEXANE-1,6-DIOLA,B,C,D2NXZ0.81
HEZHEXANE-1,6-DIOLA,D2NY40.81
HEZHEXANE-1,6-DIOLA1P2V0.81
HEZHEXANE-1,6-DIOLA1NHZ0.81
HEZHEXANE-1,6-DIOLA,C,D,E,F,G2HY60.81
HEZHEXANE-1,6-DIOLA2NXY0.81
HEZHEXANE-1,6-DIOLA,B2VYP0.81
HEZHEXANE-1,6-DIOLA,B1JMT0.81
HEZHEXANE-1,6-DIOLA1U3C0.81
HEZHEXANE-1,6-DIOLA,B,C,D3G360.81
HEZHEXANE-1,6-DIOLA,B,C,D3EDC0.81
HEZHEXANE-1,6-DIOLA1QUH0.81
HEZHEXANE-1,6-DIOLA1IN40.81
HEZHEXANE-1,6-DIOLA,B,C,D1WXW0.81
HEZHEXANE-1,6-DIOLA,B3EV10.81
HEZHEXANE-1,6-DIOLA,B,D2WIW0.81
HEZHEXANE-1,6-DIOLA,B,C,D1IBY0.81
HEZHEXANE-1,6-DIOLA1QUD0.81
PE9PENTAN-1-OLA1ZND0.74
BHL6-BROMOHEXAN-1-OLA,B,C1XVB0.71
ODIOCTANE-1,8-DIOLA2DM50.8
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
BDDBROMO-DODECANOLA1N8U0.71
BDDBROMO-DODECANOLA,B1N8V0.71
HTOHEPTANE-1,2,3-TRIOLH,L,M2HH10.71
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWT0.71
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXK0.71
HTOHEPTANE-1,2,3-TRIOLH,L,M1RZH0.71
HTOHEPTANE-1,2,3-TRIOLH,L,M2HG30.71
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX30.71
HTOHEPTANE-1,2,3-TRIOLA2PIL0.71
HTOHEPTANE-1,2,3-TRIOLA,B1U190.71
HTOHEPTANE-1,2,3-TRIOLH,L,M2J8D0.71
HTOHEPTANE-1,2,3-TRIOLA,B,C,D3DTU0.71
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX40.71
HTOHEPTANE-1,2,3-TRIOLA,B1HZX0.71
HTOHEPTANE-1,2,3-TRIOLA,B2G870.71
HTOHEPTANE-1,2,3-TRIOLA,B2PED0.71
HTOHEPTANE-1,2,3-TRIOLC,H,L,M3D380.71
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWV0.71
HTOHEPTANE-1,2,3-TRIOLH,L,M1RG50.71
HTOHEPTANE-1,2,3-TRIOLA1KMO0.71
HTOHEPTANE-1,2,3-TRIOLC,H,L,M1L9B0.71
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWU0.71
HTOHEPTANE-1,2,3-TRIOLA1AY20.71
HTOHEPTANE-1,2,3-TRIOLA,B1RP00.71
HTOHEPTANE-1,2,3-TRIOLC,H,L,M2I5N0.71
HTOHEPTANE-1,2,3-TRIOLH,L,M2J8C0.71
HTOHEPTANE-1,2,3-TRIOLH,L,M2HJ60.71
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXJ0.71
HTOHEPTANE-1,2,3-TRIOLL,M1YF60.71
HTOHEPTANE-1,2,3-TRIOLB2BF30.71
HTOHEPTANE-1,2,3-TRIOLA,B2HPY0.71
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX50.71
HTOHEPTANE-1,2,3-TRIOLL,M,X2UXM0.71
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXL0.71
HTOHEPTANE-1,2,3-TRIOLA,B1L9H0.71
HTOHEPTANE-1,2,3-TRIOLA2HI20.71
HTOHEPTANE-1,2,3-TRIOLA,B,D,E,G,H,
J,K
1LGH0.71
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWW0.71
DE1DECAN-1-OLA1ZNL0.8
CXLCYCLOHEXANOLA,B1HDX0.73
OC9OCTAN-1-OLA1ZNH0.8
OC9OCTAN-1-OLA2QHV0.8
1DO1-DODECANOLA,Z2CFZ0.8
HE2HEXAN-1-OLA1ZNE0.81
MHN6-METHYLHEPTAN-1-OLA,B1OYF0.71