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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03400050

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HFE0.75
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2H8P0.75
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HG50.75
BFC(R)-3-HYDROXYTETRADECANALA2NPV0.78
3MF3-O-METHYLFRUCTOSE IN LINEAR FORMA,B1XYC0.7
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2HVK0.73
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2DWD0.73
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEC2DWE0.73
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2HVJ0.73
LIL2-TRIDECANOYLOXY-PENTADECANOIC ACIDA2FCP0.7
LIL2-TRIDECANOYLOXY-PENTADECANOIC ACIDA1FCP0.7
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Y0.73
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Z0.73
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH10.73
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH30.73
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEA,C2P7T0.73
HOC(2S)-2-HYDROXYOCTANOIC ACIDA2A850.74
RNSL-RHAMNOSEA,B,C,D1X8D0.71
RNSL-RHAMNOSEA,B,C,D1DE60.71
RNSL-RHAMNOSEA,B,C,D2I560.71
HXD(3R)-3-HYDROXYDODECANOIC ACIDA2DDH0.72
DGADIACYL GLYCEROLA,C2NLJ0.72
DGADIACYL GLYCEROLA,C1ZWI0.72
DGADIACYL GLYCEROLB,C1R3J0.72
DGADIACYL GLYCEROLC1K4D0.72
DGADIACYL GLYCEROLA,C1K4C0.72
DGADIACYL GLYCEROLC1R3K0.72
DGADIACYL GLYCEROLB,C1S5H0.72
DGADIACYL GLYCEROLC,H1R3I0.72
DGADIACYL GLYCEROLB,C1R3L0.72
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFF0.72
FTT3-HYDROXY-TETRADECANOIC ACIDA1QJQ0.72
FTT3-HYDROXY-TETRADECANOIC ACIDA,B2GRX0.72
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFG0.72
FTT3-HYDROXY-TETRADECANOIC ACIDA1QKC0.72
FTT3-HYDROXY-TETRADECANOIC ACIDA1FI10.72
FTT3-HYDROXY-TETRADECANOIC ACIDA,B,C,D3FXI0.72
KO1D-glycero-alpha-D-talo-oct-2-ulopyranosonic acidA,B2R230.71