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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00012317

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
OC9OCTAN-1-OLA1ZNH0.93
OC9OCTAN-1-OLA2QHV0.93
HEZHEXANE-1,6-DIOLA,B1X1V0.71
HEZHEXANE-1,6-DIOLA,B,C,D,E,F1M8T0.71
HEZHEXANE-1,6-DIOLA1J7K0.71
HEZHEXANE-1,6-DIOLA2IOR0.71
HEZHEXANE-1,6-DIOLA,D2NY20.71
HEZHEXANE-1,6-DIOLA2NY00.71
HEZHEXANE-1,6-DIOLA,B,C,D3CDO0.71
HEZHEXANE-1,6-DIOLA,B,C,D2NXZ0.71
HEZHEXANE-1,6-DIOLA,D2NY40.71
HEZHEXANE-1,6-DIOLA1P2V0.71
HEZHEXANE-1,6-DIOLA1NHZ0.71
HEZHEXANE-1,6-DIOLA,C,D,E,F,G2HY60.71
HEZHEXANE-1,6-DIOLA2NXY0.71
HEZHEXANE-1,6-DIOLA,B2VYP0.71
HEZHEXANE-1,6-DIOLA,B1JMT0.71
HEZHEXANE-1,6-DIOLA1U3C0.71
HEZHEXANE-1,6-DIOLA,B,C,D3G360.71
HEZHEXANE-1,6-DIOLA,B,C,D3EDC0.71
HEZHEXANE-1,6-DIOLA1QUH0.71
HEZHEXANE-1,6-DIOLA1IN40.71
HEZHEXANE-1,6-DIOLA,B,C,D1WXW0.71
HEZHEXANE-1,6-DIOLA,B3EV10.71
HEZHEXANE-1,6-DIOLA,B,D2WIW0.71
HEZHEXANE-1,6-DIOLA,B,C,D1IBY0.71
HEZHEXANE-1,6-DIOLA1QUD0.71
HTOHEPTANE-1,2,3-TRIOLH,L,M2HH10.82
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWT0.82
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXK0.82
HTOHEPTANE-1,2,3-TRIOLH,L,M1RZH0.82
HTOHEPTANE-1,2,3-TRIOLH,L,M2HG30.82
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX30.82
HTOHEPTANE-1,2,3-TRIOLA2PIL0.82
HTOHEPTANE-1,2,3-TRIOLA,B1U190.82
HTOHEPTANE-1,2,3-TRIOLH,L,M2J8D0.82
HTOHEPTANE-1,2,3-TRIOLA,B,C,D3DTU0.82
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX40.82
HTOHEPTANE-1,2,3-TRIOLA,B1HZX0.82
HTOHEPTANE-1,2,3-TRIOLA,B2G870.82
HTOHEPTANE-1,2,3-TRIOLA,B2PED0.82
HTOHEPTANE-1,2,3-TRIOLC,H,L,M3D380.82
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWV0.82
HTOHEPTANE-1,2,3-TRIOLH,L,M1RG50.82
HTOHEPTANE-1,2,3-TRIOLA1KMO0.82
HTOHEPTANE-1,2,3-TRIOLC,H,L,M1L9B0.82
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWU0.82
HTOHEPTANE-1,2,3-TRIOLA1AY20.82
HTOHEPTANE-1,2,3-TRIOLA,B1RP00.82
HTOHEPTANE-1,2,3-TRIOLC,H,L,M2I5N0.82
HTOHEPTANE-1,2,3-TRIOLH,L,M2J8C0.82
HTOHEPTANE-1,2,3-TRIOLH,L,M2HJ60.82
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXJ0.82
HTOHEPTANE-1,2,3-TRIOLL,M1YF60.82
HTOHEPTANE-1,2,3-TRIOLB2BF30.82
HTOHEPTANE-1,2,3-TRIOLA,B2HPY0.82
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX50.82
HTOHEPTANE-1,2,3-TRIOLL,M,X2UXM0.82
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXL0.82
HTOHEPTANE-1,2,3-TRIOLA,B1L9H0.82
HTOHEPTANE-1,2,3-TRIOLA2HI20.82
HTOHEPTANE-1,2,3-TRIOLA,B,D,E,G,H,
J,K
1LGH0.82
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWW0.82
HNB(2S,5R)-5-pentyltetrahydrofuran-
2-ol
A2K8T0.73
HNB(2S,5R)-5-pentyltetrahydrofuran-
2-ol
A2K8U0.73
DE1DECAN-1-OLA1ZNL0.93
HND(4S)-nonane-1,4-diolA2KAR0.94
HND(4S)-nonane-1,4-diolA2KAS0.94
5HD5-(2-hydroxyethyl)nonane-1,9-diolA3DWB0.73
PE9PENTAN-1-OLA1ZND0.7
MHN6-METHYLHEPTAN-1-OLA,B1OYF0.77
ODIOCTANE-1,8-DIOLA2DM50.87
1DO1-DODECANOLA,Z2CFZ0.93
HE2HEXAN-1-OLA1ZNE0.77
PL3HEXADECAN-1-OLA,B,C,D2UUU0.88
PL3HEXADECAN-1-OLA,B,C,D2UUV0.88
DEMDECYLOXY-METHANOLA1EK80.75
CXLCYCLOHEXANOLA,B1HDX0.75
BFC(R)-3-HYDROXYTETRADECANALA2NPV0.71
ARC3,7,11,15-TETRAMETHYL-HEXADECAN-
1-OL
A,B,C1BRR0.74
BDDBROMO-DODECANOLA1N8U0.77
BDDBROMO-DODECANOLA,B1N8V0.77
HE4HEPTAN-1-OLA1ZNG0.87
F09NONAN-1-OLA,C2DWD0.93
F09NONAN-1-OLB,C1R3L0.93
F09NONAN-1-OLC,H1R3I0.93
F09NONAN-1-OLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V
1YCE0.93
F09NONAN-1-OLC2DWE0.93
F09NONAN-1-OLA,C2HVJ0.93
F09NONAN-1-OLB,C1R3J0.93
F09NONAN-1-OLC1K4D0.93
F09NONAN-1-OLA,C1K4C0.93
F09NONAN-1-OLC2ATK0.93
F09NONAN-1-OLA,C1ZWI0.93
F09NONAN-1-OLA1ZNK0.93
F09NONAN-1-OLB,C1S5H0.93
F09NONAN-1-OLA,C2HVK0.93
F09NONAN-1-OLA,C2P7T0.93