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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03260453

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL		A2JCQ0.7
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL		A,B2IH90.7
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL		A,B,C,D,E,F2J2P0.7
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL		A3DIV0.7
AXP4-ACETAMIDO-2,4-DIDEXOY-D-GLYCERO-
BETA-D-GALACTO-OCTOPYRANOSYLPHOSPHONIC ACID (AN AXIAL PHOSPHONATE)		A1INW0.74
AXP4-ACETAMIDO-2,4-DIDEXOY-D-GLYCERO-
BETA-D-GALACTO-OCTOPYRANOSYLPHOSPHONIC ACID (AN AXIAL PHOSPHONATE)		A1DIL0.74
GP4GLUCOSAMINE 4-PHOSPHATEA1FCP0.78
GP4GLUCOSAMINE 4-PHOSPHATEA,B,C1Q9W0.78
GP4GLUCOSAMINE 4-PHOSPHATEA2FCP0.78
GTL(2E,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)-2-PIPERIDINONE		A,B2J790.71
GTL(2E,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)-2-PIPERIDINONE		A,B1UWT0.71
DQQ2,5-DIDEOXY-2,5-IMINO-D-MANNITOLA2AEY0.76
PAI{[(2,2-DIHYDROXY-ETHYL)-(2,3,4,5-
TETRAHYDROXY-6-PHOSPHONOOXY-HEXYL)-
AMINO]-METHYL}-PHOSPHONIC ACID		A,B1JCX0.72
PAI{[(2,2-DIHYDROXY-ETHYL)-(2,3,4,5-
TETRAHYDROXY-6-PHOSPHONOOXY-HEXYL)-
AMINO]-METHYL}-PHOSPHONIC ACID		A1G7V0.72
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA1UP20.71
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA,B,C,D3GXF0.71
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA1OCN0.71
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA,B,C,D2NSX0.71
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA,B1OIF0.71
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA1OCQ0.71
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA2G9V0.71
ABL6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-PIPERIDINE-2,3,4-TRIOL		A,B1NAA0.74
ABL6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-PIPERIDINE-2,3,4-TRIOL		A2AXR0.74
NND(2R,3R,4R,5S)-2-(HYDROXYMETHYL)-
1-NONYLPIPERIDINE-3,4,5-TRIOL		A,B2V3E0.71
CGBCALYSTEGINE B2A,B2CBV0.81
NG1N-ACETYL-ALPHA-D-GALACTOSAMINE 1-
PHOSPHATE		A2A2C0.76
NG1N-ACETYL-ALPHA-D-GALACTOSAMINE 1-
PHOSPHATE		A,B2DKD0.76
GP1GLUCOSAMINE 1-PHOSPHATEA,B,C1Q9W0.78
GP1GLUCOSAMINE 1-PHOSPHATEA,B2OI60.78
GP1GLUCOSAMINE 1-PHOSPHATEA2FCP0.78
GP1GLUCOSAMINE 1-PHOSPHATEA1FCP0.78
GP1GLUCOSAMINE 1-PHOSPHATEA1UJW0.78
M6R5-AMINO-5-DEOXY-1-O-PHOSPHONO-D-
MANNITOL		A,B,C,D2PUV0.84
GN12-(ACETYLAMINO)-2-DEOXY-1-O-PHOSPHONO-
ALPHA-D-GLUCOPYRANOSE		A2QKX0.76
GN12-(ACETYLAMINO)-2-DEOXY-1-O-PHOSPHONO-
ALPHA-D-GLUCOPYRANOSE		A,B2YQH0.76
GN12-(ACETYLAMINO)-2-DEOXY-1-O-PHOSPHONO-
ALPHA-D-GLUCOPYRANOSE		A,B2OI70.76
DIG2,5-DIDEOXY-2,5-IMINO-D-GLUCITOLA,B1DID0.76
GOX(2S,3S,4R,5R)-6-(HYDROXYAMINO)-
2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-
3,4,5-TRIOL		A,B1UWU0.71
GOX(2S,3S,4R,5R)-6-(HYDROXYAMINO)-
2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-
3,4,5-TRIOL		A3D510.71
GOX(2S,3S,4R,5R)-6-(HYDROXYAMINO)-
2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-
3,4,5-TRIOL		A1U300.71
GOX(2S,3S,4R,5R)-6-(HYDROXYAMINO)-
2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-
3,4,5-TRIOL		M1E720.71
GOX(2S,3S,4R,5R)-6-(HYDROXYAMINO)-
2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-
3,4,5-TRIOL		A,B2J780.71
GOX(2S,3S,4R,5R)-6-(HYDROXYAMINO)-
2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-
3,4,5-TRIOL		A1U2Y0.71
GOX(2S,3S,4R,5R)-6-(HYDROXYAMINO)-
2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-
3,4,5-TRIOL		M,N1E6S0.71
DFU(2S,3R,4S,5R)-2-METHYLPIPERIDINE-
3,4,5-TRIOL		A,B2EAC0.76
NOZ(2S,3S,4R,5R)-5-(hydroxymethyl)piperidine-
2,3,4-triol		A,B2VL40.75
XDNPIPERIDINE-3,4,5-TRIOLA1V0K0.72
XDNPIPERIDINE-3,4,5-TRIOLA1V0M0.72
XDNPIPERIDINE-3,4,5-TRIOLA1FH70.72
GLPGLUCOSAMINE 6-PHOSPHATEE,F,G,H,P,Q,
R,S		2NZ40.78
GLPGLUCOSAMINE 6-PHOSPHATEA1MOQ0.78
GLPGLUCOSAMINE 6-PHOSPHATEA3CXQ0.78
GLPGLUCOSAMINE 6-PHOSPHATEA,B3B4A0.78
GLPGLUCOSAMINE 6-PHOSPHATEA,B3B4C0.78
GLPGLUCOSAMINE 6-PHOSPHATEA,B3B4B0.78
GLPGLUCOSAMINE 6-PHOSPHATEA,B2VHL0.78
GLPGLUCOSAMINE 6-PHOSPHATEA,B2Z750.78
GLPGLUCOSAMINE 6-PHOSPHATEX2VF50.78
GLPGLUCOSAMINE 6-PHOSPHATEA,B2RI10.78
YRR3-HYDROXY-PYRROLIDIN-2-YLMETHYL-
MONOPHOSPHATE GROUP		A,D1F6O0.76
YRR3-HYDROXY-PYRROLIDIN-2-YLMETHYL-
MONOPHOSPHATE GROUP		D1BNK0.76
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA,B,C,D,E,F1NE70.84
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA2ZJ40.84
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA1MOS0.84
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA,B1HOR0.84
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B,D1I1D0.76
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B2DKC0.76
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B,C,D,E,F1NE70.76
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B1FS50.76
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B2O280.76
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B1FRZ0.76
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B1HOT0.76
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA2VXK0.76
NEB2-DEOXY-D-STREPTAMINEA1NEM0.7
NOJ1-DEOXYNOJIRIMYCINA,B1OIM0.85
NOJ1-DEOXYNOJIRIMYCINA,B2J770.85
NOJ1-DEOXYNOJIRIMYCINA,B2JKE0.85
NOJ1-DEOXYNOJIRIMYCINA3GBE0.85
NOJ1-DEOXYNOJIRIMYCINA,B3GXT0.85
NOJ1-DEOXYNOJIRIMYCINA,B1DIE0.85
NOJ1-DEOXYNOJIRIMYCINA1DOG0.85
NOJ1-DEOXYNOJIRIMYCINA,B1I750.85
NOJ1-DEOXYNOJIRIMYCINA,B2PWD0.85
DMJ1-DEOXYMANNOJIRIMYCINA,B1KRE0.85
DMJ1-DEOXYMANNOJIRIMYCINA1FO20.85
DMJ1-DEOXYMANNOJIRIMYCINA1G6I0.85
DMJ1-DEOXYMANNOJIRIMYCINA1HXK0.85
GL6(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-2-YL)-PHOSPHORAMIDIC ACID DIMETHYL ESTER		A1XC70.76
NNG2-DEOXY-2-{[(S)-HYDROXY(METHYL)PHOSPHORYL]AMINO}-
6-O-PHOSPHONO-ALPHA-D-GLUCOPYRANOSE		A,B2P530.73
NOK2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCINA2VC90.71
MNM(2S,3S,4R,5R)-2,3,4-TRIHYDROXY-
5-HYDROXYMETHYL-PIPERIDINE		A2ALW0.75
EQP(4-ACETAMIDO-2,4-DIDEOXY-D-GLYCERO-
ALPHA-D-GALACTO-1-OCTOPYRANOSYL)PHOSPHONIC ACID		A1DIM0.74
EQP(4-ACETAMIDO-2,4-DIDEOXY-D-GLYCERO-
ALPHA-D-GALACTO-1-OCTOPYRANOSYL)PHOSPHONIC ACID		A1INX0.74
EQP(4-ACETAMIDO-2,4-DIDEOXY-D-GLYCERO-
ALPHA-D-GALACTO-1-OCTOPYRANOSYL)PHOSPHONIC ACID		A1INY0.74
EQP(4-ACETAMIDO-2,4-DIDEOXY-D-GLYCERO-
ALPHA-D-GALACTO-1-OCTOPYRANOSYL)PHOSPHONIC ACID		A1DIL0.74
EQP(4-ACETAMIDO-2,4-DIDEOXY-D-GLYCERO-
ALPHA-D-GALACTO-1-OCTOPYRANOSYL)PHOSPHONIC ACID		A1INV0.74
CYY2-DEOXYSTREPTAMINEA1QD30.7
XIFPIPERIDINE-3,4-DIOLA1V0L0.7
XIFPIPERIDINE-3,4-DIOLA1V0N0.7
XIFPIPERIDINE-3,4-DIOLA1FH80.7
NOY(2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-
2,3,4-TRIOL		A,B2J750.75
NOY(2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-
2,3,4-TRIOL		A2V3G0.75
NOY(2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-
2,3,4-TRIOL		A,B2VQU0.75
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1L5Q0.7
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3CEM0.7
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1L5R0.7
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1EXV0.7
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1L5S0.7
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1L7X0.7
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA1WW20.7
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA2PRJ0.7
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1FC00.7
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3CEJ0.7
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3CEH0.7
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1XOI0.7
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3DDW0.7
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1EM60.7
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3DDS0.7
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3DD10.7
NBV(2R,3R,4R,5S)-1-BUTYL-2-(HYDROXYMETHYL)PIPERIDINE-
3,4,5-TRIOL		A,B2V3D0.73
MMN5-DEOXY-5-{[(1S)-1-HYDROXYETHYL]AMINO}-
D-GLUCITOL		A1XUZ0.8
IMRIMINORIBITOLA,B,C1I800.7
H4P1-DEOXY-6-O-PHOSPHONO-1-[(PHOSPHONOMETHYL)AMINO]-
L-THREO-HEXITOL		A,B1PCW0.83
1AB1,4-DIDEOXY-1,4-IMINO-D-ARABINITOLA2G9Q0.7