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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03131612

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
XDNPIPERIDINE-3,4,5-TRIOLA1V0K0.75
XDNPIPERIDINE-3,4,5-TRIOLA1V0M0.75
XDNPIPERIDINE-3,4,5-TRIOLA1FH70.75
DR36-DEOXY-ALPHA-L-GLUCOPYRANOSYL-
(1->2)-BETA-D-GULOPYRANOSYL-(1-
>3)-2-DEOXY-2-[(1-HYDROXYETHYL)AMINO]-
ALPHA-L-TALOPYRANOSE		A1ZJ20.74
DR36-DEOXY-ALPHA-L-GLUCOPYRANOSYL-
(1->2)-BETA-D-GULOPYRANOSYL-(1-
>3)-2-DEOXY-2-[(1-HYDROXYETHYL)AMINO]-
ALPHA-L-TALOPYRANOSE		A1ZI50.74
CR11-DEOXY-1-METHOXYCARBAMIDO-BETA-
D-GLUCOPYRANOSE		A1FU70.78
NTFN-TRIFLURO-ACETYL-BETA-D-GLUCOPYRANOSYLAMINEA1WW30.76
DT62,4-BIS(ACETYLAMINO)-1,5-ANHYDRO-
2,4-DIDEOXY-D-GLUCITOL		A,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R		2HIL0.74
DT62,4-BIS(ACETYLAMINO)-1,5-ANHYDRO-
2,4-DIDEOXY-D-GLUCITOL		A2HI20.74
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA1UP20.76
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA,B,C,D3GXF0.76
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA1OCN0.76
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA,B,C,D2NSX0.76
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA,B1OIF0.76
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA1OCQ0.76
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA2G9V0.76
NOZ(2S,3S,4R,5R)-5-(hydroxymethyl)piperidine-
2,3,4-triol		A,B2VL40.78
C4B1-beta-D-glucopyranosyl-1,3,5-triazinane-
2,4,6-trione		A3BDA0.72
GL6(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-2-YL)-PHOSPHORAMIDIC ACID DIMETHYL ESTER		A1XC70.72
7GPETHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATEA2F3S0.73
233[5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-2-YLCARBAMOYL)-
PENTYL]-CARBAMIC ACID METHYL ESTER		D,E,F,G,H1MD20.75
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL		A2JCQ0.75
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL		A,B2IH90.75
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL		A,B,C,D,E,F2J2P0.75
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL		A3DIV0.75
ABL6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-PIPERIDINE-2,3,4-TRIOL		A,B1NAA0.77
ABL6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-PIPERIDINE-2,3,4-TRIOL		A2AXR0.77
9MR(3R,4R,5R)-3-HYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-
4-YL BETA-D-GLUCOPYRANOSIDE		A3CUF0.77
9MR(3R,4R,5R)-3-HYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-
4-YL BETA-D-GLUCOPYRANOSIDE		A,B2OYK0.77
DL62-AZIDO-N-((2R,3R,4S,5S,6R)-3,4,5-
TRIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-
2H-PYRAN-2-YL)ACETAMIDE		A2FFR0.74
4GPN-(BETA-D-GLUCOPYRANOSYL)OXAMIC ACIDA2F3P0.75
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1L5Q0.79
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3CEM0.79
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1L5R0.79
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1EXV0.79
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1L5S0.79
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1L7X0.79
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA1WW20.79
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA2PRJ0.79
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1FC00.79
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3CEJ0.79
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3CEH0.79
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1XOI0.79
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3DDW0.79
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1EM60.79
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3DDS0.79
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3DD10.79
XIFPIPERIDINE-3,4-DIOLA1V0L0.73
XIFPIPERIDINE-3,4-DIOLA1V0N0.73
XIFPIPERIDINE-3,4-DIOLA1FH80.73
MNM(2S,3S,4R,5R)-2,3,4-TRIHYDROXY-
5-HYDROXYMETHYL-PIPERIDINE		A2ALW0.78
G2I(3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-
4-yl 4-O-beta-D-glucopyranosyl-
beta-D-glucopyranoside		A3CUH0.73
SNGMETHYL 2-ACETAMIDO-1,2-DIDEOXY-
1-SELENO-BETA-D-GLUCOPYRANOSIDE		A2BWM0.76
SNGMETHYL 2-ACETAMIDO-1,2-DIDEOXY-
1-SELENO-BETA-D-GLUCOPYRANOSIDE		A1O9V0.76
NOY(2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-
2,3,4-TRIOL		A,B2J750.78
NOY(2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-
2,3,4-TRIOL		A2V3G0.78
NOY(2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-
2,3,4-TRIOL		A,B2VQU0.78
TYUTETRAHYDROURIDINEA,B,C,D2FR50.77
ABDACARBOSE DERIVED HEXASACCHARIDEA1QHO0.71
MMN5-DEOXY-5-{[(1S)-1-HYDROXYETHYL]AMINO}-
D-GLUCITOL		A1XUZ0.76
8GPA2F3U0.72
NLC2-(ACETYLAMINO)-2-DEOXY-4-O-BETA-
D-GALACTOPYRANOSYL-ALPHA-D-GLUCOPYRANOSE		A,B2VS40.71
NLC2-(ACETYLAMINO)-2-DEOXY-4-O-BETA-
D-GALACTOPYRANOSYL-ALPHA-D-GLUCOPYRANOSE		A1W3G0.71
NLC2-(ACETYLAMINO)-2-DEOXY-4-O-BETA-
D-GALACTOPYRANOSYL-ALPHA-D-GLUCOPYRANOSE		A,B3EHN0.71
NLC2-(ACETYLAMINO)-2-DEOXY-4-O-BETA-
D-GALACTOPYRANOSYL-ALPHA-D-GLUCOPYRANOSE		A1W3F0.71
NLC2-(ACETYLAMINO)-2-DEOXY-4-O-BETA-
D-GALACTOPYRANOSYL-ALPHA-D-GLUCOPYRANOSE		A1ZJ10.71
NLC2-(ACETYLAMINO)-2-DEOXY-4-O-BETA-
D-GALACTOPYRANOSYL-ALPHA-D-GLUCOPYRANOSE		A2YY10.71
NLC2-(ACETYLAMINO)-2-DEOXY-4-O-BETA-
D-GALACTOPYRANOSYL-ALPHA-D-GLUCOPYRANOSE		A1ZI30.71
NLC2-(ACETYLAMINO)-2-DEOXY-4-O-BETA-
D-GALACTOPYRANOSYL-ALPHA-D-GLUCOPYRANOSE		A,B2VS30.71
6GPMETHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATEA2F3Q0.72
DFU(2S,3R,4S,5R)-2-METHYLPIPERIDINE-
3,4,5-TRIOL		A,B2EAC0.72
NOJ1-DEOXYNOJIRIMYCINA,B1OIM0.72
NOJ1-DEOXYNOJIRIMYCINA,B2J770.72
NOJ1-DEOXYNOJIRIMYCINA,B2JKE0.72
NOJ1-DEOXYNOJIRIMYCINA3GBE0.72
NOJ1-DEOXYNOJIRIMYCINA,B3GXT0.72
NOJ1-DEOXYNOJIRIMYCINA,B1DIE0.72
NOJ1-DEOXYNOJIRIMYCINA1DOG0.72
NOJ1-DEOXYNOJIRIMYCINA,B1I750.72
NOJ1-DEOXYNOJIRIMYCINA,B2PWD0.72
DMJ1-DEOXYMANNOJIRIMYCINA,B1KRE0.72
DMJ1-DEOXYMANNOJIRIMYCINA1FO20.72
DMJ1-DEOXYMANNOJIRIMYCINA1G6I0.72
DMJ1-DEOXYMANNOJIRIMYCINA1HXK0.72
IMRIMINORIBITOLA,B,C1I800.7
1AB1,4-DIDEOXY-1,4-IMINO-D-ARABINITOLA2G9Q0.7
ISXGLUCOSE BETA-1,3-ISOFAGAMINEA2BVD0.76
G3I(3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-
4-yl beta-D-glucopyranosyl-(1->4)-
beta-D-glucopyranosyl-(1->4)-beta-
D-glucopyranoside		A3CUG0.71
AZCA1KTI0.73