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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02325277

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
HND(4S)-nonane-1,4-diolA2KAR0.88
HND(4S)-nonane-1,4-diolA2KAS0.88
F09NONAN-1-OLA,C2DWD0.87
F09NONAN-1-OLB,C1R3L0.87
F09NONAN-1-OLC,H1R3I0.87
F09NONAN-1-OLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V
1YCE0.87
F09NONAN-1-OLC2DWE0.87
F09NONAN-1-OLA,C2HVJ0.87
F09NONAN-1-OLB,C1R3J0.87
F09NONAN-1-OLC1K4D0.87
F09NONAN-1-OLA,C1K4C0.87
F09NONAN-1-OLC2ATK0.87
F09NONAN-1-OLA,C1ZWI0.87
F09NONAN-1-OLA1ZNK0.87
F09NONAN-1-OLB,C1S5H0.87
F09NONAN-1-OLA,C2HVK0.87
F09NONAN-1-OLA,C2P7T0.87
PE9PENTAN-1-OLA1ZND0.75
SBT2-BUTANOLA,B,C,D1BXZ0.71
SBT2-BUTANOLA2PLH0.71
BDDBROMO-DODECANOLA1N8U0.71
BDDBROMO-DODECANOLA,B1N8V0.71
HTOHEPTANE-1,2,3-TRIOLH,L,M2HH10.76
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWT0.76
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXK0.76
HTOHEPTANE-1,2,3-TRIOLH,L,M1RZH0.76
HTOHEPTANE-1,2,3-TRIOLH,L,M2HG30.76
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX30.76
HTOHEPTANE-1,2,3-TRIOLA2PIL0.76
HTOHEPTANE-1,2,3-TRIOLA,B1U190.76
HTOHEPTANE-1,2,3-TRIOLH,L,M2J8D0.76
HTOHEPTANE-1,2,3-TRIOLA,B,C,D3DTU0.76
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX40.76
HTOHEPTANE-1,2,3-TRIOLA,B1HZX0.76
HTOHEPTANE-1,2,3-TRIOLA,B2G870.76
HTOHEPTANE-1,2,3-TRIOLA,B2PED0.76
HTOHEPTANE-1,2,3-TRIOLC,H,L,M3D380.76
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWV0.76
HTOHEPTANE-1,2,3-TRIOLH,L,M1RG50.76
HTOHEPTANE-1,2,3-TRIOLA1KMO0.76
HTOHEPTANE-1,2,3-TRIOLC,H,L,M1L9B0.76
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWU0.76
HTOHEPTANE-1,2,3-TRIOLA1AY20.76
HTOHEPTANE-1,2,3-TRIOLA,B1RP00.76
HTOHEPTANE-1,2,3-TRIOLC,H,L,M2I5N0.76
HTOHEPTANE-1,2,3-TRIOLH,L,M2J8C0.76
HTOHEPTANE-1,2,3-TRIOLH,L,M2HJ60.76
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXJ0.76
HTOHEPTANE-1,2,3-TRIOLL,M1YF60.76
HTOHEPTANE-1,2,3-TRIOLB2BF30.76
HTOHEPTANE-1,2,3-TRIOLA,B2HPY0.76
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX50.76
HTOHEPTANE-1,2,3-TRIOLL,M,X2UXM0.76
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXL0.76
HTOHEPTANE-1,2,3-TRIOLA,B1L9H0.76
HTOHEPTANE-1,2,3-TRIOLA2HI20.76
HTOHEPTANE-1,2,3-TRIOLA,B,D,E,G,H,
J,K
1LGH0.76
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWW0.76
ODIOCTANE-1,8-DIOLA2DM50.81
PL3HEXADECAN-1-OLA,B,C,D2UUU0.81
PL3HEXADECAN-1-OLA,B,C,D2UUV0.81
CXLCYCLOHEXANOLA,B1HDX0.74
HEZHEXANE-1,6-DIOLA,B1X1V0.7
HEZHEXANE-1,6-DIOLA,B,C,D,E,F1M8T0.7
HEZHEXANE-1,6-DIOLA1J7K0.7
HEZHEXANE-1,6-DIOLA2IOR0.7
HEZHEXANE-1,6-DIOLA,D2NY20.7
HEZHEXANE-1,6-DIOLA2NY00.7
HEZHEXANE-1,6-DIOLA,B,C,D3CDO0.7
HEZHEXANE-1,6-DIOLA,B,C,D2NXZ0.7
HEZHEXANE-1,6-DIOLA,D2NY40.7
HEZHEXANE-1,6-DIOLA1P2V0.7
HEZHEXANE-1,6-DIOLA1NHZ0.7
HEZHEXANE-1,6-DIOLA,C,D,E,F,G2HY60.7
HEZHEXANE-1,6-DIOLA2NXY0.7
HEZHEXANE-1,6-DIOLA,B2VYP0.7
HEZHEXANE-1,6-DIOLA,B1JMT0.7
HEZHEXANE-1,6-DIOLA1U3C0.7
HEZHEXANE-1,6-DIOLA,B,C,D3G360.7
HEZHEXANE-1,6-DIOLA,B,C,D3EDC0.7
HEZHEXANE-1,6-DIOLA1QUH0.7
HEZHEXANE-1,6-DIOLA1IN40.7
HEZHEXANE-1,6-DIOLA,B,C,D1WXW0.7
HEZHEXANE-1,6-DIOLA,B3EV10.7
HEZHEXANE-1,6-DIOLA,B,D2WIW0.7
HEZHEXANE-1,6-DIOLA,B,C,D1IBY0.7
HEZHEXANE-1,6-DIOLA1QUD0.7
1DO1-DODECANOLA,Z2CFZ0.87
HE4HEPTAN-1-OLA1ZNG0.8
HE2HEXAN-1-OLA1ZNE0.76
DE1DECAN-1-OLA1ZNL0.87
MHN6-METHYLHEPTAN-1-OLA,B1OYF0.71
OC9OCTAN-1-OLA1ZNH0.87
OC9OCTAN-1-OLA2QHV0.87