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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02864113

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IN1PROPIONIC ACID 2,2-DIHYDROXY-3-
(1-GLUCOPYRANOSYLOXY)-METHYLPROPYL ESTER		A,B4OVW0.74
XLFbeta-D-xylulofuranoseA,B3CTP0.73
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2HVK0.72
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2DWD0.72
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEC2DWE0.72
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2HVJ0.72
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HFE0.73
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2H8P0.73
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HG50.73
DR4METHYL 9-(BETA-D-TALOPYRANOSYLOXY)NONANOATEA1ZJO0.7
DR4METHYL 9-(BETA-D-TALOPYRANOSYLOXY)NONANOATEA1ZJP0.7
RIBRIBOSEA1RKD0.71
RIBRIBOSEA1QD30.71
RIBRIBOSEA,B2C400.71
RIBRIBOSEA1RKS0.71
RIBRIBOSEA4RHN0.71
RIBRIBOSEA,B,C,D1GQT0.71
RIBRIBOSEA,B,C,D1RK20.71
RIBRIBOSEA1YOE0.71
DGADIACYL GLYCEROLA,C2NLJ0.71
DGADIACYL GLYCEROLA,C1ZWI0.71
DGADIACYL GLYCEROLB,C1R3J0.71
DGADIACYL GLYCEROLC1K4D0.71
DGADIACYL GLYCEROLA,C1K4C0.71
DGADIACYL GLYCEROLC1R3K0.71
DGADIACYL GLYCEROLB,C1S5H0.71
DGADIACYL GLYCEROLC,H1R3I0.71
DGADIACYL GLYCEROLB,C1R3L0.71
FUBbeta-L-arabinofuranoseA3D610.71
FUBbeta-L-arabinofuranoseA3D5Z0.71
2GL4-O-ACETYL-2,6-DIDEOXY-ALPHA-D-
GALACTO-HEXOPYRANOSE		A,B1EKH0.71
2GL4-O-ACETYL-2,6-DIDEOXY-ALPHA-D-
GALACTO-HEXOPYRANOSE		A,B1EKI0.71
20SBETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-
ALPHA-D-GLUCOPYRANOSIDE		A,B2FAF0.72
20SBETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-
ALPHA-D-GLUCOPYRANOSIDE		A,B,C,D2FAH0.72
20SBETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-
ALPHA-D-GLUCOPYRANOSIDE		A,B2QZY0.72
AHRALPHA-L-ARABINOFURANOSEA2D440.71
AHRALPHA-L-ARABINOFURANOSEA,B,C2VRQ0.71
AHRALPHA-L-ARABINOFURANOSEA,B1PZ20.71
AHRALPHA-L-ARABINOFURANOSEA,B1V6U0.71
AHRALPHA-L-ARABINOFURANOSEA1UR10.71
AHRALPHA-L-ARABINOFURANOSEA3D610.71
AHRALPHA-L-ARABINOFURANOSEA2D430.71
AHRALPHA-L-ARABINOFURANOSEA,B,C,D,E,F2C7F0.71
AHRALPHA-L-ARABINOFURANOSEA1UR20.71
AHRALPHA-L-ARABINOFURANOSEA,B,C,D,E,F2C8N0.71
AHRALPHA-L-ARABINOFURANOSEA3D5Z0.71
AHRALPHA-L-ARABINOFURANOSEA2CNC0.71
AHRALPHA-L-ARABINOFURANOSEA2BNJ0.71
AHRALPHA-L-ARABINOFURANOSEA2W5O0.71
AHRALPHA-L-ARABINOFURANOSEA,B1V6V0.71
AHRALPHA-L-ARABINOFURANOSEA1WD40.71
AHRALPHA-L-ARABINOFURANOSEB1GYE0.71
KDF3-deoxy-alpha-D-erythro-hex-2-ulofuranosonic acidA,B,C2VAR0.76
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,B2FCT0.72
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,B2FCV0.72
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,B2FCU0.72
KHO4-(3,4-DIHYDROXY-5-HYDROXYMETHYL-
TETRAHYDRO-FURAN-2-YLOXY)-TETRAHYDRO-
PYRAN-2,3,5-TRIOL		A,B1QW80.71
BDRBETA-D-RIBOFURANOSYLA1NEM0.71
2OS3-N-OCTANOYLSUCROSEA,B1T3I0.72
HSUbeta-D-ribofuranoseA,B1QXB0.71
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Y0.72
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Z0.72
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH10.72
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH30.72
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEA,C2P7T0.72
RB3(1R)-3-{[(1R)-3-METHOXY-1-METHYL-
3-OXOPROPYL]OXY}-1-METHYL-3-OXOPROPYL (3R)-
3-HYDROXYBUTANOATE		A2D810.7
PAV(2R,4S)-2-METHYL-2,3,3,4-TETRAHYDROXYTETRAHYDROFURANA,B3EJW0.77
PAV(2R,4S)-2-METHYL-2,3,3,4-TETRAHYDROXYTETRAHYDROFURANA1TJY0.77
OSUN-OCTANOYLSUCROSEA1PYY0.72
HHG(2R)-2-HYDROXY-3-(PHOSPHONOOXY)PROPYL HEXANOATEA1Y9T0.7
HHG(2R)-2-HYDROXY-3-(PHOSPHONOOXY)PROPYL HEXANOATEA,B3E3C0.7
LRH6-DEOXY-BETA-L-FRUCTOFURANOSEA2UYT0.71
AI23A-METHYL-5,6-DIHYDRO-FURO[2,3-
D][1,3,2]DIOXABOROLE-2,2,6,6A-TETRAOL		A,B2HJ90.71
AI23A-METHYL-5,6-DIHYDRO-FURO[2,3-
D][1,3,2]DIOXABOROLE-2,2,6,6A-TETRAOL		A1JX60.71