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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03399884

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
20SBETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-
ALPHA-D-GLUCOPYRANOSIDE		A,B2FAF0.73
20SBETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-
ALPHA-D-GLUCOPYRANOSIDE		A,B,C,D2FAH0.73
20SBETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-
ALPHA-D-GLUCOPYRANOSIDE		A,B2QZY0.73
FKD2,6-ANHYDRO-3-DEOXY-3-FLUORO-L-
ARABINO-D-GALACTO-NONONIC ACID		A2AGS0.75
DAOLAURIC ACIDA,B2B5S0.72
DAOLAURIC ACID1,51V9U0.72
DAOLAURIC ACIDA2AF90.72
DAOLAURIC ACIDA2GFY0.72
DAOLAURIC ACIDA2GMC0.72
DAOLAURIC ACID11FPN0.72
DAOLAURIC ACIDA1QFF0.72
DAOLAURIC ACIDA,B1MA00.72
DAOLAURIC ACIDA,B,C1TJJ0.72
DAOLAURIC ACIDA2AGC0.72
DAOLAURIC ACID1,41AYM0.72
DAOLAURIC ACID1,41AYN0.72
DAOLAURIC ACIDA,B,C,D2BZ30.72
DAOLAURIC ACIDA2OVD0.72
DAOLAURIC ACIDA,B2ALG0.72
DAOLAURIC ACIDA,B,C,D3FXI0.72
DAOLAURIC ACIDA1FK10.72
DAOLAURIC ACIDA,B,C,D1EK40.72
DAOLAURIC ACIDA,B2QHD0.72
DAOLAURIC ACIDA2GMD0.72
DAOLAURIC ACIDA,B2GRX0.72
DAOLAURIC ACIDA1QFG0.72
DAOLAURIC ACIDA,B,C2AG20.72
DAOLAURIC ACIDA,E3DPR0.72
DAOLAURIC ACIDA,B,C,D2BYZ0.72
DAOLAURIC ACIDA1E7F0.72
DAOLAURIC ACIDA,B1HZP0.72
DAOLAURIC ACIDA,B,C,D2BYX0.72
DAOLAURIC ACIDA1S8G0.72
DAOLAURIC ACIDA,B,C,D1M7W0.72
DAOLAURIC ACIDA2EVD0.72
DSU((2R,3S,4S,5S)-3,4-DIHYDROXY-5-
(HYDROXYMETHYL)-5-((2R,3S,4S,5S,6R)-
3,4,5-TRIHYDROXY-6-METHOXY-TETRAHYDRO-
2H-PYRAN-2-YLOXY)-TETRAHYDROFURAN-
2-YL)METHYL NONANOATE		A,B2FCT0.73
DSU((2R,3S,4S,5S)-3,4-DIHYDROXY-5-
(HYDROXYMETHYL)-5-((2R,3S,4S,5S,6R)-
3,4,5-TRIHYDROXY-6-METHOXY-TETRAHYDRO-
2H-PYRAN-2-YLOXY)-TETRAHYDROFURAN-
2-YL)METHYL NONANOATE		A,B2FCV0.73
DSU((2R,3S,4S,5S)-3,4-DIHYDROXY-5-
(HYDROXYMETHYL)-5-((2R,3S,4S,5S,6R)-
3,4,5-TRIHYDROXY-6-METHOXY-TETRAHYDRO-
2H-PYRAN-2-YLOXY)-TETRAHYDROFURAN-
2-YL)METHYL NONANOATE		A,B2FCU0.73
DEB6-DEOXYERYTHRONOLIDE BA1Z8P0.76
DEB6-DEOXYERYTHRONOLIDE BA1JIO0.76
DEB6-DEOXYERYTHRONOLIDE BA1Z8Q0.76
DEB6-DEOXYERYTHRONOLIDE BA1OXA0.76
DEB6-DEOXYERYTHRONOLIDE BA1Z8O0.76
TDAN-TRIDECANOIC ACIDA,B1TP20.72
TDAN-TRIDECANOIC ACIDA,B1QLL0.72
TDAN-TRIDECANOIC ACIDA1TC80.72
VZZ11-[(MERCAPTOCARBONYL)OXY]UNDECANOIC ACIDA,B2QO10.7
HOC(2S)-2-HYDROXYOCTANOIC ACIDA2A850.76
BFC(R)-3-HYDROXYTETRADECANALA2NPV0.7
KO1D-glycero-alpha-D-talo-oct-2-ulopyranosonic acidA,B2R230.72
OCAOCTANOIC ACID (CAPRYLIC ACID)A2QHS0.72
OCAOCTANOIC ACID (CAPRYLIC ACID)A1U8U0.72
OCAOCTANOIC ACID (CAPRYLIC ACID)A1V2G0.72
OCAOCTANOIC ACID (CAPRYLIC ACID)A2EUM0.72
OCAOCTANOIC ACID (CAPRYLIC ACID)A,B1H2B0.72
OCAOCTANOIC ACID (CAPRYLIC ACID)A,B,C,D2BUI0.72
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C1Q9W0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DUV0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUS0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QJQ0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9R0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QFF0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA2FCP0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9Q0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DV40.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3FXI0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2R2B0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1FCP0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1FI10.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUU0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9V0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QFG0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QKC0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUR0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2R1Y0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9T0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DV60.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2GRX0.75
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HFE0.77
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2H8P0.77
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HG50.77
EOD11-[(2R,3S)-3-PENTYLOXIRAN-2-YL]UNDECANOIC ACIDA,B,C2DIO0.78
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2HVK0.75
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2DWD0.75
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEC2DWE0.75
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2HVJ0.75
MYRMYRISTIC ACIDA1BJ50.72
MYRMYRISTIC ACIDA1N5U0.72
MYRMYRISTIC ACIDA1WC80.72
MYRMYRISTIC ACIDA2K5U0.72
MYRMYRISTIC ACID1,41COV0.72
MYRMYRISTIC ACIDA1PZL0.72
MYRMYRISTIC ACIDA1JSA0.72
MYRMYRISTIC ACIDA1WC90.72
MYRMYRISTIC ACID1,41PVC0.72
MYRMYRISTIC ACID1,41AYN0.72
MYRMYRISTIC ACIDA,B2AG90.72
MYRMYRISTIC ACIDA2BXN0.72
MYRMYRISTIC ACIDA,B,C,D3FXI0.72
MYRMYRISTIC ACID1,41EAH0.72
MYRMYRISTIC ACIDA2BAU0.72
MYRMYRISTIC ACID1,41AR60.72
MYRMYRISTIC ACIDA1NFP0.72
MYRMYRISTIC ACIDA2H3Q0.72
MYRMYRISTIC ACID1,43EPD0.72
MYRMYRISTIC ACIDA1E7G0.72
MYRMYRISTIC ACID1,41AL20.72
MYRMYRISTIC ACIDA3B9L0.72
MYRMYRISTIC ACIDE,I1CMK0.72
MYRMYRISTIC ACIDA2BXI0.72
MYRMYRISTIC ACIDA2JMG0.72
MYRMYRISTIC ACIDA,B,C1TCO0.72
MYRMYRISTIC ACIDA1HA20.72
MYRMYRISTIC ACIDA2BXO0.72
MYRMYRISTIC ACID1,41PO20.72
MYRMYRISTIC ACIDA1BKE0.72
MYRMYRISTIC ACID1,43EPC0.72
MYRMYRISTIC ACIDA,D1ND20.72
MYRMYRISTIC ACIDA,B1OPL0.72
MYRMYRISTIC ACIDA1FK20.72
MYRMYRISTIC ACIDA1LA30.72
MYRMYRISTIC ACIDA2I2Z0.72
MYRMYRISTIC ACIDE,I1CTP0.72
MYRMYRISTIC ACIDA,B2GRX0.72
MYRMYRISTIC ACIDA,B,C,D,E,F,
G,H		1XDA0.72
MYRMYRISTIC ACIDA1QFG0.72
MYRMYRISTIC ACIDA,B,C,D1TED0.72
MYRMYRISTIC ACIDA,B,C2AG20.72
MYRMYRISTIC ACIDA1QA50.72
MYRMYRISTIC ACIDA3B9M0.72
MYRMYRISTIC ACID1,41AR80.72
MYRMYRISTIC ACID1,41QJX0.72
MYRMYRISTIC ACIDA2H3I0.72
MYRMYRISTIC ACIDA2K4H0.72
MYRMYRISTIC ACID1,41QJU0.72
MYRMYRISTIC ACID1,41ASJ0.72
MYRMYRISTIC ACIDA2BXK0.72
MYRMYRISTIC ACIDA2E560.72
MYRMYRISTIC ACID1,41VBD0.72
MYRMYRISTIC ACIDA,B1CDK0.72
MYRMYRISTIC ACIDA2BXL0.72
MYRMYRISTIC ACIDA1O9X0.72
MYRMYRISTIC ACIDA2FO00.72
MYRMYRISTIC ACIDA3CX90.72
MYRMYRISTIC ACIDA2AGC0.72
MYRMYRISTIC ACIDA1E7C0.72
MYRMYRISTIC ACIDA,B1OPJ0.72
MYRMYRISTIC ACID1,41AR90.72
MYRMYRISTIC ACIDA1H9G0.72
MYRMYRISTIC ACIDA1H9Z0.72
MYRMYRISTIC ACID1,41AR70.72
MYRMYRISTIC ACIDA1OPK0.72
MYRMYRISTIC ACIDA,B1P420.72
MYRMYRISTIC ACIDA2R2I0.72
MYRMYRISTIC ACIDA2BXM0.72
MYRMYRISTIC ACIDA2K4I0.72
MYRMYRISTIC ACIDA,B2GO30.72
MYRMYRISTIC ACIDA2NV30.72
MYRMYRISTIC ACIDA1UPH0.72
MYRMYRISTIC ACIDA1HK40.72
MYRMYRISTIC ACIDA,B1V260.72
MYRMYRISTIC ACID1,41EV10.72
MYRMYRISTIC ACIDA1ICM0.72
MYRMYRISTIC ACIDA2I300.72
MYRMYRISTIC ACIDA2BAO0.72
MYRMYRISTIC ACID1,43EPF0.72
MYRMYRISTIC ACIDA1HBK0.72
MYRMYRISTIC ACIDA2AF90.72
MYRMYRISTIC ACID1,41QJY0.72
MYRMYRISTIC ACID1,41D4M0.72
MYRMYRISTIC ACID0,11POV0.72
MYRMYRISTIC ACID1,41VBA0.72
MYRMYRISTIC ACIDA,D1NCR0.72
MYRMYRISTIC ACIDA,D1OOP0.72
MYRMYRISTIC ACIDA2BXP0.72
MYRMYRISTIC ACIDA1QFF0.72
MYRMYRISTIC ACID1,41VBB0.72
MYRMYRISTIC ACIDA2PWN0.72
MYRMYRISTIC ACID1,41HXS0.72
MYRMYRISTIC ACIDA2BXQ0.72
MYRMYRISTIC ACIDA,B2J650.72
MYRMYRISTIC ACIDA,D1H8T0.72
MYRMYRISTIC ACIDA,B1L7Z0.72
MYRMYRISTIC ACID1,41AYM0.72
MYRMYRISTIC ACID1,21BEV0.72
MYRMYRISTIC ACID1,41VBC0.72
MYRMYRISTIC ACID1,2,41Z7S0.72
MYRMYRISTIC ACID1,41PO10.72
MYRMYRISTIC ACID1,41VBE0.72
MYRMYRISTIC ACID1,42PLV0.72
MYRMYRISTIC ACIDA1HK50.72
MYRMYRISTIC ACIDA1UVA0.72
MYRMYRISTIC ACIDA1IKU0.72
MYRMYRISTIC ACID1,41PIV0.72
MYRMYRISTIC ACIDA3EE40.72
NONMETHYL NONANOATE (ESTER)A1QQS0.7
NONMETHYL NONANOATE (ESTER)H1CLZ0.7
NONMETHYL NONANOATE (ESTER)H1CLY0.7
OSUN-OCTANOYLSUCROSEA1PYY0.73
LMG1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDEA,B,C,F,I,J,
K,L,M,X		1JB00.74
LMG1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDEA,B,C,D,E,F,
H,I,J,K,M,O,
T,V,Z		3BZ10.74
LMG1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDEA,B,C,D,L,R1Q900.74
LMG1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDEA,B,C,D,E,F,
H,I,J,K,L,M,
O,T,V,X,Z		3BZ20.74
DGDDIGALACTOSYL DIACYL GLYCEROL (DGDG)A2C9E0.72
DGDDIGALACTOSYL DIACYL GLYCEROL (DGDG)M,N,O1PPR0.72
DGDDIGALACTOSYL DIACYL GLYCEROL (DGDG)A,B,C,D,E,F,
H,I,J,K,L,M,
O,T,V,X,Z		3BZ20.72
DGDDIGALACTOSYL DIACYL GLYCEROL (DGDG)A,B,C2BHW0.72
DGDDIGALACTOSYL DIACYL GLYCEROL (DGDG)A,B,C,D,E,F,
G,H,I,J		1RWT0.72
DGDDIGALACTOSYL DIACYL GLYCEROL (DGDG)A,B,C,D,E,F,
H,I,J,K,M,O,
T,V,Z		3BZ10.72
DGDDIGALACTOSYL DIACYL GLYCEROL (DGDG)A,B,C,D,F,H,
K,L,T,V,Z		3A0H0.72
DGDDIGALACTOSYL DIACYL GLYCEROL (DGDG)A,B,C,D,F,H,
I,K,L,M,T,V,X		2AXT0.72
DGDDIGALACTOSYL DIACYL GLYCEROL (DGDG)A,B,C,D,E,H,
J,K,L,T,V,Z		3A0B0.72
F15PENTADECANOIC ACIDA,C,D1XVP0.72
F15PENTADECANOIC ACIDA,C,D1XV90.72
DGADIACYL GLYCEROLA,C2NLJ0.74
DGADIACYL GLYCEROLA,C1ZWI0.74
DGADIACYL GLYCEROLB,C1R3J0.74
DGADIACYL GLYCEROLC1K4D0.74
DGADIACYL GLYCEROLA,C1K4C0.74
DGADIACYL GLYCEROLC1R3K0.74
DGADIACYL GLYCEROLB,C1S5H0.74
DGADIACYL GLYCEROLC,H1R3I0.74
DGADIACYL GLYCEROLB,C1R3L0.74
DR4METHYL 9-(BETA-D-TALOPYRANOSYLOXY)NONANOATEA1ZJO0.76
DR4METHYL 9-(BETA-D-TALOPYRANOSYLOXY)NONANOATEA1ZJP0.76
12H12-HYDROXYDODECANOIC ACIDA,B1M6W0.76
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Y0.75
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Z0.75
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID		A1RWG0.7
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID		A1RWF0.7
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID		A1RWH0.7
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH10.75
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH30.75
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEA,C2P7T0.75
LIL2-TRIDECANOYLOXY-PENTADECANOIC ACIDA2FCP0.75
LIL2-TRIDECANOYLOXY-PENTADECANOIC ACIDA1FCP0.75
2OS3-N-OCTANOYLSUCROSEA,B1T3I0.73
MGE(1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-
1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE		A,B,C,D,F,H,
K,L,T,V,Z		3A0H0.74
MGE(1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-
1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE		A,B,C,D,F,H,
I,K,L,M,T,V,X		2AXT0.74
MGE(1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-
1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE		A,B,C,D,E,H,
J,K,L,T,V,Z		3A0B0.74
CNSHEXADECYL OCTANOATEA,B1U9O0.71
CNSHEXADECYL OCTANOATEA1U9N0.71
OHA10-oxohexadecanoic acidA,B,C,D2OD60.71
HXD(3R)-3-HYDROXYDODECANOIC ACIDA2DDH0.77
DKADECANOIC ACIDA1TFJ0.72
DKADECANOIC ACIDA1WBE0.72
DKADECANOIC ACIDA1E7E0.72
DKADECANOIC ACIDA1XT70.72
DKADECANOIC ACIDA1W660.72
DKADECANOIC ACIDA,B,C,D1F910.72
DKADECANOIC ACIDA1T5N0.72
DKADECANOIC ACIDA,B,C,D,E,F,
G,H,J,K,L,M,
N,P,Q,R		1P8J0.72
DKADECANOIC ACIDA3DFK0.72
DKADECANOIC ACIDA2VDB0.72
DKADECANOIC ACIDA2FVF0.72
DKADECANOIC ACIDA,B,C,D1GXS0.72
DKADECANOIC ACIDA1T5M0.72
DKADECANOIC ACIDA1FK00.72
DKADECANOIC ACIDA1TF00.72
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFF0.77
FTT3-HYDROXY-TETRADECANOIC ACIDA1QJQ0.77
FTT3-HYDROXY-TETRADECANOIC ACIDA,B2GRX0.77
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFG0.77
FTT3-HYDROXY-TETRADECANOIC ACIDA1QKC0.77
FTT3-HYDROXY-TETRADECANOIC ACIDA1FI10.77
FTT3-HYDROXY-TETRADECANOIC ACIDA,B,C,D3FXI0.77