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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00012300

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MHN6-METHYLHEPTAN-1-OLA,B1OYF0.74
5HD5-(2-hydroxyethyl)nonane-1,9-diolA3DWB0.7
3OL1-OCTEN-3-OLA,B1HN20.7
3OL1-OCTEN-3-OLA,B1GT30.7
3OL1-OCTEN-3-OLA,B1GT10.7
3OL1-OCTEN-3-OLA,B1G850.7
ARC3,7,11,15-TETRAMETHYL-HEXADECAN-
1-OL
A,B,C1BRR0.71
HTOHEPTANE-1,2,3-TRIOLH,L,M2HH10.79
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWT0.79
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXK0.79
HTOHEPTANE-1,2,3-TRIOLH,L,M1RZH0.79
HTOHEPTANE-1,2,3-TRIOLH,L,M2HG30.79
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX30.79
HTOHEPTANE-1,2,3-TRIOLA2PIL0.79
HTOHEPTANE-1,2,3-TRIOLA,B1U190.79
HTOHEPTANE-1,2,3-TRIOLH,L,M2J8D0.79
HTOHEPTANE-1,2,3-TRIOLA,B,C,D3DTU0.79
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX40.79
HTOHEPTANE-1,2,3-TRIOLA,B1HZX0.79
HTOHEPTANE-1,2,3-TRIOLA,B2G870.79
HTOHEPTANE-1,2,3-TRIOLA,B2PED0.79
HTOHEPTANE-1,2,3-TRIOLC,H,L,M3D380.79
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWV0.79
HTOHEPTANE-1,2,3-TRIOLH,L,M1RG50.79
HTOHEPTANE-1,2,3-TRIOLA1KMO0.79
HTOHEPTANE-1,2,3-TRIOLC,H,L,M1L9B0.79
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWU0.79
HTOHEPTANE-1,2,3-TRIOLA1AY20.79
HTOHEPTANE-1,2,3-TRIOLA,B1RP00.79
HTOHEPTANE-1,2,3-TRIOLC,H,L,M2I5N0.79
HTOHEPTANE-1,2,3-TRIOLH,L,M2J8C0.79
HTOHEPTANE-1,2,3-TRIOLH,L,M2HJ60.79
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXJ0.79
HTOHEPTANE-1,2,3-TRIOLL,M1YF60.79
HTOHEPTANE-1,2,3-TRIOLB2BF30.79
HTOHEPTANE-1,2,3-TRIOLA,B2HPY0.79
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX50.79
HTOHEPTANE-1,2,3-TRIOLL,M,X2UXM0.79
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXL0.79
HTOHEPTANE-1,2,3-TRIOLA,B1L9H0.79
HTOHEPTANE-1,2,3-TRIOLA2HI20.79
HTOHEPTANE-1,2,3-TRIOLA,B,D,E,G,H,
J,K
1LGH0.79
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWW0.79
F09NONAN-1-OLA,C2DWD0.9
F09NONAN-1-OLB,C1R3L0.9
F09NONAN-1-OLC,H1R3I0.9
F09NONAN-1-OLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V
1YCE0.9
F09NONAN-1-OLC2DWE0.9
F09NONAN-1-OLA,C2HVJ0.9
F09NONAN-1-OLB,C1R3J0.9
F09NONAN-1-OLC1K4D0.9
F09NONAN-1-OLA,C1K4C0.9
F09NONAN-1-OLC2ATK0.9
F09NONAN-1-OLA,C1ZWI0.9
F09NONAN-1-OLA1ZNK0.9
F09NONAN-1-OLB,C1S5H0.9
F09NONAN-1-OLA,C2HVK0.9
F09NONAN-1-OLA,C2P7T0.9
PL3HEXADECAN-1-OLA,B,C,D2UUU0.84
PL3HEXADECAN-1-OLA,B,C,D2UUV0.84
PE9PENTAN-1-OLA1ZND0.72
HE4HEPTAN-1-OLA1ZNG0.83
ODIOCTANE-1,8-DIOLA2DM50.84
DE1DECAN-1-OLA1ZNL0.9
BDDBROMO-DODECANOLA1N8U0.74
BDDBROMO-DODECANOLA,B1N8V0.74
HND(4S)-nonane-1,4-diolA2KAR0.91
HND(4S)-nonane-1,4-diolA2KAS0.91
OC9OCTAN-1-OLA1ZNH0.9
OC9OCTAN-1-OLA2QHV0.9
HEZHEXANE-1,6-DIOLA,B1X1V0.73
HEZHEXANE-1,6-DIOLA,B,C,D,E,F1M8T0.73
HEZHEXANE-1,6-DIOLA1J7K0.73
HEZHEXANE-1,6-DIOLA2IOR0.73
HEZHEXANE-1,6-DIOLA,D2NY20.73
HEZHEXANE-1,6-DIOLA2NY00.73
HEZHEXANE-1,6-DIOLA,B,C,D3CDO0.73
HEZHEXANE-1,6-DIOLA,B,C,D2NXZ0.73
HEZHEXANE-1,6-DIOLA,D2NY40.73
HEZHEXANE-1,6-DIOLA1P2V0.73
HEZHEXANE-1,6-DIOLA1NHZ0.73
HEZHEXANE-1,6-DIOLA,C,D,E,F,G2HY60.73
HEZHEXANE-1,6-DIOLA2NXY0.73
HEZHEXANE-1,6-DIOLA,B2VYP0.73
HEZHEXANE-1,6-DIOLA,B1JMT0.73
HEZHEXANE-1,6-DIOLA1U3C0.73
HEZHEXANE-1,6-DIOLA,B,C,D3G360.73
HEZHEXANE-1,6-DIOLA,B,C,D3EDC0.73
HEZHEXANE-1,6-DIOLA1QUH0.73
HEZHEXANE-1,6-DIOLA1IN40.73
HEZHEXANE-1,6-DIOLA,B,C,D1WXW0.73
HEZHEXANE-1,6-DIOLA,B3EV10.73
HEZHEXANE-1,6-DIOLA,B,D2WIW0.73
HEZHEXANE-1,6-DIOLA,B,C,D1IBY0.73
HEZHEXANE-1,6-DIOLA1QUD0.73
CXLCYCLOHEXANOLA,B1HDX0.77
1DO1-DODECANOLA,Z2CFZ0.9
DEMDECYLOXY-METHANOLA1EK80.72
HE2HEXAN-1-OLA1ZNE0.79
HNB(2S,5R)-5-pentyltetrahydrofuran-
2-ol
A2K8T0.71
HNB(2S,5R)-5-pentyltetrahydrofuran-
2-ol
A2K8U0.71