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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03471012

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NOZ(2S,3S,4R,5R)-5-(hydroxymethyl)piperidine-
2,3,4-triol		A,B2VL40.77
PA1PAROMOMYCIN (RING 1)A1PBR0.7
PA1PAROMOMYCIN (RING 1)A1QKC0.7
PA1PAROMOMYCIN (RING 1)A1QFG0.7
PA1PAROMOMYCIN (RING 1)A1FI10.7
PA1PAROMOMYCIN (RING 1)A,B,C,D3FXI0.7
PA1PAROMOMYCIN (RING 1)A1QFF0.7
XDNPIPERIDINE-3,4,5-TRIOLA1V0K0.74
XDNPIPERIDINE-3,4,5-TRIOLA1V0M0.74
XDNPIPERIDINE-3,4,5-TRIOLA1FH70.74
GCSD-GLUCOSAMINEA3CO40.7
GCSD-GLUCOSAMINEA1QGI0.7
GCSD-GLUCOSAMINEA,B2VZS0.7
GCSD-GLUCOSAMINEA1E9L0.7
GCSD-GLUCOSAMINEA,B,C,D3FXI0.7
GCSD-GLUCOSAMINEA,B2VZV0.7
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL		A2JCQ0.72
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL		A,B2IH90.72
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL		A,B,C,D,E,F2J2P0.72
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL		A3DIV0.72
NOJ1-DEOXYNOJIRIMYCINA,B1OIM0.88
NOJ1-DEOXYNOJIRIMYCINA,B2J770.88
NOJ1-DEOXYNOJIRIMYCINA,B2JKE0.88
NOJ1-DEOXYNOJIRIMYCINA3GBE0.88
NOJ1-DEOXYNOJIRIMYCINA,B3GXT0.88
NOJ1-DEOXYNOJIRIMYCINA,B1DIE0.88
NOJ1-DEOXYNOJIRIMYCINA1DOG0.88
NOJ1-DEOXYNOJIRIMYCINA,B1I750.88
NOJ1-DEOXYNOJIRIMYCINA,B2PWD0.88
DMJ1-DEOXYMANNOJIRIMYCINA,B1KRE0.88
DMJ1-DEOXYMANNOJIRIMYCINA1FO20.88
DMJ1-DEOXYMANNOJIRIMYCINA1G6I0.88
DMJ1-DEOXYMANNOJIRIMYCINA1HXK0.88
CGBCALYSTEGINE B2A,B2CBV0.83
15A(2Z,3R,4S,5R,6R)-2-[(2-aminoethyl)imino]-
6-(hydroxymethyl)piperidine-3,4,5-
triol		A,B2VQT0.7
GNSN-SULFO-ALPHA-D-GLUCOSAMINEA2ERM0.76
NOK2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCINA2VC90.73
NGK2-(ACETYLAMINO)-2-DEOXY-4-O-SULFO-
ALPHA-D-GALACTOPYRANOSE		A1NN20.76
NGK2-(ACETYLAMINO)-2-DEOXY-4-O-SULFO-
ALPHA-D-GALACTOPYRANOSE		A2BAT0.76
NGK2-(ACETYLAMINO)-2-DEOXY-4-O-SULFO-
ALPHA-D-GALACTOPYRANOSE		A1OFL0.76
SGNN,O6-DISULFO-GLUCOSAMINEA,B1FQ90.75
SGNN,O6-DISULFO-GLUCOSAMINEB2AXM0.75
SGNN,O6-DISULFO-GLUCOSAMINEA,B1GMN0.75
SGNN,O6-DISULFO-GLUCOSAMINEA,B1T8U0.75
SGNN,O6-DISULFO-GLUCOSAMINEA1BFB0.75
SGNN,O6-DISULFO-GLUCOSAMINEB,D,F,H1XMN0.75
SGNN,O6-DISULFO-GLUCOSAMINEA,B,C,D,E,F,
G,H		1GMO0.75
SGNN,O6-DISULFO-GLUCOSAMINEA,B,C,D,E,F1AXM0.75
SGNN,O6-DISULFO-GLUCOSAMINEA1XT30.75
SGNN,O6-DISULFO-GLUCOSAMINE11QQP0.75
SGNN,O6-DISULFO-GLUCOSAMINEA,B1RID0.75
SGNN,O6-DISULFO-GLUCOSAMINEA1G5N0.75
SGNN,O6-DISULFO-GLUCOSAMINEA,B2BRS0.75
SGNN,O6-DISULFO-GLUCOSAMINEA1HPN0.75
SGNN,O6-DISULFO-GLUCOSAMINEA1ZA40.75
SGNN,O6-DISULFO-GLUCOSAMINE11ZBA0.75
SGNN,O6-DISULFO-GLUCOSAMINEA1BFC0.75
SGNN,O6-DISULFO-GLUCOSAMINEA,B,C,D2VRA0.75
SGNN,O6-DISULFO-GLUCOSAMINEA2HYV0.75
SGNN,O6-DISULFO-GLUCOSAMINEH,I3B9F0.75
SGNN,O6-DISULFO-GLUCOSAMINEA,B3DY00.75
SGNN,O6-DISULFO-GLUCOSAMINEA2HYU0.75
SGNN,O6-DISULFO-GLUCOSAMINEB,C,D,E1E0O0.75
DFU(2S,3R,4S,5R)-2-METHYLPIPERIDINE-
3,4,5-TRIOL		A,B2EAC0.79
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA,B,C,D,E,F1NE70.71
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA2ZJ40.71
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA1MOS0.71
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA,B1HOR0.71
GOX(2S,3S,4R,5R)-6-(HYDROXYAMINO)-
2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-
3,4,5-TRIOL		A,B1UWU0.73
GOX(2S,3S,4R,5R)-6-(HYDROXYAMINO)-
2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-
3,4,5-TRIOL		A3D510.73
GOX(2S,3S,4R,5R)-6-(HYDROXYAMINO)-
2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-
3,4,5-TRIOL		A1U300.73
GOX(2S,3S,4R,5R)-6-(HYDROXYAMINO)-
2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-
3,4,5-TRIOL		M1E720.73
GOX(2S,3S,4R,5R)-6-(HYDROXYAMINO)-
2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-
3,4,5-TRIOL		A,B2J780.73
GOX(2S,3S,4R,5R)-6-(HYDROXYAMINO)-
2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-
3,4,5-TRIOL		A1U2Y0.73
GOX(2S,3S,4R,5R)-6-(HYDROXYAMINO)-
2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-
3,4,5-TRIOL		M,N1E6S0.73
DQQ2,5-DIDEOXY-2,5-IMINO-D-MANNITOLA2AEY0.78
NGY2-(acetylamino)-2-deoxy-6-O-sulfo-
alpha-D-glucopyranose		A2ERM0.76
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE		A1RWG0.76
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE		A1HM20.76
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE		A1RWF0.76
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE		A1OFL0.76
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE		A3C9E0.76
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE		A2C4S0.76
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE		A1C4S0.76
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE		A1OFM0.76
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE		A1OJO0.76
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE		A1HMW0.76
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE		A1DQO0.76
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE		A1HMU0.76
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE		A1RWH0.76
NG6N-ACETYL-D-GALACTOSAMINE 6-SULFATEA1HMW0.76
NG6N-ACETYL-D-GALACTOSAMINE 6-SULFATEA1OJN0.76
NG6N-ACETYL-D-GALACTOSAMINE 6-SULFATEA1OJP0.76
H4P1-DEOXY-6-O-PHOSPHONO-1-[(PHOSPHONOMETHYL)AMINO]-
L-THREO-HEXITOL		A,B1PCW0.71
GCN3-DEOXY-D-GLUCOSAMINEA1FI10.7
GCN3-DEOXY-D-GLUCOSAMINEA1QFG0.7
GCN3-DEOXY-D-GLUCOSAMINEA1QKC0.7
GCN3-DEOXY-D-GLUCOSAMINEA,B2GRX0.7
GCN3-DEOXY-D-GLUCOSAMINEA1QJQ0.7
GCN3-DEOXY-D-GLUCOSAMINEA1QFF0.7
SNGMETHYL 2-ACETAMIDO-1,2-DIDEOXY-
1-SELENO-BETA-D-GLUCOPYRANOSIDE		A2BWM0.71
SNGMETHYL 2-ACETAMIDO-1,2-DIDEOXY-
1-SELENO-BETA-D-GLUCOPYRANOSIDE		A1O9V0.71
CR11-DEOXY-1-METHOXYCARBAMIDO-BETA-
D-GLUCOPYRANOSE		A1FU70.71
NOY(2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-
2,3,4-TRIOL		A,B2J750.77
NOY(2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-
2,3,4-TRIOL		A2V3G0.77
NOY(2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-
2,3,4-TRIOL		A,B2VQU0.77
NEB2-DEOXY-D-STREPTAMINEA1NEM0.72
MNM(2S,3S,4R,5R)-2,3,4-TRIHYDROXY-
5-HYDROXYMETHYL-PIPERIDINE		A2ALW0.77
M6R5-AMINO-5-DEOXY-1-O-PHOSPHONO-D-
MANNITOL		A,B,C,D2PUV0.71
NGS2-(acetylamino)-2-deoxy-6-O-sulfo-
beta-D-glucopyranose		A1KES0.76
2TB1,3-DIAMINO-4,5,6-TRIHYDROXY-CYCLOHEXANEA2TOB0.71
GTL(2E,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)-2-PIPERIDINONE		A,B2J790.73
GTL(2E,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)-2-PIPERIDINONE		A,B1UWT0.73
NBV(2R,3R,4R,5S)-1-BUTYL-2-(HYDROXYMETHYL)PIPERIDINE-
3,4,5-TRIOL		A,B2V3D0.75
17B(2Z,3R,4S,5R,6R)-2-[(4-aminobutyl)imino]-
6-(hydroxymethyl)piperidine-3,4,5-
triol		A,B2VR40.71
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA1UP20.73
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA,B,C,D3GXF0.73
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA1OCN0.73
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA,B,C,D2NSX0.73
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA,B1OIF0.73
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA1OCQ0.73
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA2G9V0.73
IMRIMINORIBITOLA,B,C1I800.72
1AB1,4-DIDEOXY-1,4-IMINO-D-ARABINITOLA2G9Q0.72
DIG2,5-DIDEOXY-2,5-IMINO-D-GLUCITOLA,B1DID0.78
ABL6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-PIPERIDINE-2,3,4-TRIOL		A,B1NAA0.76
ABL6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-PIPERIDINE-2,3,4-TRIOL		A2AXR0.76
MMN5-DEOXY-5-{[(1S)-1-HYDROXYETHYL]AMINO}-
D-GLUCITOL		A1XUZ0.83
1GN2-DEOXY-2-AMINOGALACTOSEA,B3GAL0.7
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1L5Q0.72
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3CEM0.72
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1L5R0.72
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1EXV0.72
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1L5S0.72
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1L7X0.72
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA1WW20.72
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA2PRJ0.72
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1FC00.72
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3CEJ0.72
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3CEH0.72
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1XOI0.72
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3DDW0.72
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1EM60.72
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3DDS0.72
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3DD10.72
XIFPIPERIDINE-3,4-DIOLA1V0L0.72
XIFPIPERIDINE-3,4-DIOLA1V0N0.72
XIFPIPERIDINE-3,4-DIOLA1FH80.72
NND(2R,3R,4R,5S)-2-(HYDROXYMETHYL)-
1-NONYLPIPERIDINE-3,4,5-TRIOL		A,B2V3E0.73
CYY2-DEOXYSTREPTAMINEA1QD30.72