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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02847055

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LIL2-TRIDECANOYLOXY-PENTADECANOIC ACIDA2FCP0.76
LIL2-TRIDECANOYLOXY-PENTADECANOIC ACIDA1FCP0.76
EOD11-[(2R,3S)-3-PENTYLOXIRAN-2-YL]UNDECANOIC ACIDA,B,C2DIO0.75
HNB(2S,5R)-5-pentyltetrahydrofuran-
2-ol
A2K8T0.72
HNB(2S,5R)-5-pentyltetrahydrofuran-
2-ol
A2K8U0.72
12H12-HYDROXYDODECANOIC ACIDA,B1M6W0.73
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH10.76
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH30.76
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEA,C2P7T0.76
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HFE0.78
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2H8P0.78
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HG50.78
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Y0.76
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Z0.76
DGADIACYL GLYCEROLA,C2NLJ0.75
DGADIACYL GLYCEROLA,C1ZWI0.75
DGADIACYL GLYCEROLB,C1R3J0.75
DGADIACYL GLYCEROLC1K4D0.75
DGADIACYL GLYCEROLA,C1K4C0.75
DGADIACYL GLYCEROLC1R3K0.75
DGADIACYL GLYCEROLB,C1S5H0.75
DGADIACYL GLYCEROLC,H1R3I0.75
DGADIACYL GLYCEROLB,C1R3L0.75
HTOHEPTANE-1,2,3-TRIOLH,L,M2HH10.75
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWT0.75
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXK0.75
HTOHEPTANE-1,2,3-TRIOLH,L,M1RZH0.75
HTOHEPTANE-1,2,3-TRIOLH,L,M2HG30.75
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX30.75
HTOHEPTANE-1,2,3-TRIOLA2PIL0.75
HTOHEPTANE-1,2,3-TRIOLA,B1U190.75
HTOHEPTANE-1,2,3-TRIOLH,L,M2J8D0.75
HTOHEPTANE-1,2,3-TRIOLA,B,C,D3DTU0.75
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX40.75
HTOHEPTANE-1,2,3-TRIOLA,B1HZX0.75
HTOHEPTANE-1,2,3-TRIOLA,B2G870.75
HTOHEPTANE-1,2,3-TRIOLA,B2PED0.75
HTOHEPTANE-1,2,3-TRIOLC,H,L,M3D380.75
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWV0.75
HTOHEPTANE-1,2,3-TRIOLH,L,M1RG50.75
HTOHEPTANE-1,2,3-TRIOLA1KMO0.75
HTOHEPTANE-1,2,3-TRIOLC,H,L,M1L9B0.75
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWU0.75
HTOHEPTANE-1,2,3-TRIOLA1AY20.75
HTOHEPTANE-1,2,3-TRIOLA,B1RP00.75
HTOHEPTANE-1,2,3-TRIOLC,H,L,M2I5N0.75
HTOHEPTANE-1,2,3-TRIOLH,L,M2J8C0.75
HTOHEPTANE-1,2,3-TRIOLH,L,M2HJ60.75
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXJ0.75
HTOHEPTANE-1,2,3-TRIOLL,M1YF60.75
HTOHEPTANE-1,2,3-TRIOLB2BF30.75
HTOHEPTANE-1,2,3-TRIOLA,B2HPY0.75
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX50.75
HTOHEPTANE-1,2,3-TRIOLL,M,X2UXM0.75
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXL0.75
HTOHEPTANE-1,2,3-TRIOLA,B1L9H0.75
HTOHEPTANE-1,2,3-TRIOLA2HI20.75
HTOHEPTANE-1,2,3-TRIOLA,B,D,E,G,H,
J,K
1LGH0.75
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWW0.75
RB3(1R)-3-{[(1R)-3-METHOXY-1-METHYL-
3-OXOPROPYL]OXY}-1-METHYL-3-OXOPROPYL (3R)-
3-HYDROXYBUTANOATE
A2D810.74
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2HVK0.76
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2DWD0.76
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEC2DWE0.76
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2HVJ0.76
HND(4S)-nonane-1,4-diolA2KAR0.75
HND(4S)-nonane-1,4-diolA2KAS0.75
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFF0.78
FTT3-HYDROXY-TETRADECANOIC ACIDA1QJQ0.78
FTT3-HYDROXY-TETRADECANOIC ACIDA,B2GRX0.78
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFG0.78
FTT3-HYDROXY-TETRADECANOIC ACIDA1QKC0.78
FTT3-HYDROXY-TETRADECANOIC ACIDA1FI10.78
FTT3-HYDROXY-TETRADECANOIC ACIDA,B,C,D3FXI0.78
HXD(3R)-3-HYDROXYDODECANOIC ACIDA2DDH0.78
HOC(2S)-2-HYDROXYOCTANOIC ACIDA2A850.73