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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03260465

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
M6R5-AMINO-5-DEOXY-1-O-PHOSPHONO-D-
MANNITOL
A,B,C,D2PUV0.72
GDA4-DEOXY-4-AMINO-BETA-D-GLUCOSEA,B1OCB0.81
MMN5-DEOXY-5-{[(1S)-1-HYDROXYETHYL]AMINO}-
D-GLUCITOL
A1XUZ0.72
1GN2-DEOXY-2-AMINOGALACTOSEA,B3GAL0.83
2TB1,3-DIAMINO-4,5,6-TRIHYDROXY-CYCLOHEXANEA2TOB0.75
TOB1,3-DIAMINO-5,6-DIHYDROXYCYCLOHEXANEA1TOB0.7
MNM(2S,3S,4R,5R)-2,3,4-TRIHYDROXY-
5-HYDROXYMETHYL-PIPERIDINE
A2ALW0.71
GLPGLUCOSAMINE 6-PHOSPHATEE,F,G,H,P,Q,
R,S
2NZ40.74
GLPGLUCOSAMINE 6-PHOSPHATEA1MOQ0.74
GLPGLUCOSAMINE 6-PHOSPHATEA3CXQ0.74
GLPGLUCOSAMINE 6-PHOSPHATEA,B3B4A0.74
GLPGLUCOSAMINE 6-PHOSPHATEA,B3B4C0.74
GLPGLUCOSAMINE 6-PHOSPHATEA,B3B4B0.74
GLPGLUCOSAMINE 6-PHOSPHATEA,B2VHL0.74
GLPGLUCOSAMINE 6-PHOSPHATEA,B2Z750.74
GLPGLUCOSAMINE 6-PHOSPHATEX2VF50.74
GLPGLUCOSAMINE 6-PHOSPHATEA,B2RI10.74
NOY(2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-
2,3,4-TRIOL
A,B2J750.71
NOY(2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-
2,3,4-TRIOL
A2V3G0.71
NOY(2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-
2,3,4-TRIOL
A,B2VQU0.71
DAG4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDEA2PIK0.79
DAG4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDEA6CGT0.79
DAG4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDEA,B1PIK0.79
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7Y0.76
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7X0.76
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R810.76
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7V0.76
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R800.76
IDGO-2,6-DIAMINO-2,6-DIDEOXY-BETA-
L-IDOPYRANOSE
A1QD30.81
IDGO-2,6-DIAMINO-2,6-DIDEOXY-BETA-
L-IDOPYRANOSE
A1NEM0.81
IDGO-2,6-DIAMINO-2,6-DIDEOXY-BETA-
L-IDOPYRANOSE
A1PBR0.81
AZCA1KTI0.71
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA,B,C,D,E,F1NE70.72
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA2ZJ40.72
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA1MOS0.72
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA,B1HOR0.72
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1CPU0.79
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1NM90.79
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1MFV0.79
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1PIG0.79
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEX1Z320.79
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1MFU0.79
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA3BLK0.79
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEX3BLP0.79
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA3DHP0.79
SGNN,O6-DISULFO-GLUCOSAMINEA,B1FQ90.74
SGNN,O6-DISULFO-GLUCOSAMINEB2AXM0.74
SGNN,O6-DISULFO-GLUCOSAMINEA,B1GMN0.74
SGNN,O6-DISULFO-GLUCOSAMINEA,B1T8U0.74
SGNN,O6-DISULFO-GLUCOSAMINEA1BFB0.74
SGNN,O6-DISULFO-GLUCOSAMINEB,D,F,H1XMN0.74
SGNN,O6-DISULFO-GLUCOSAMINEA,B,C,D,E,F,
G,H
1GMO0.74
SGNN,O6-DISULFO-GLUCOSAMINEA,B,C,D,E,F1AXM0.74
SGNN,O6-DISULFO-GLUCOSAMINEA1XT30.74
SGNN,O6-DISULFO-GLUCOSAMINE11QQP0.74
SGNN,O6-DISULFO-GLUCOSAMINEA,B1RID0.74
SGNN,O6-DISULFO-GLUCOSAMINEA1G5N0.74
SGNN,O6-DISULFO-GLUCOSAMINEA,B2BRS0.74
SGNN,O6-DISULFO-GLUCOSAMINEA1HPN0.74
SGNN,O6-DISULFO-GLUCOSAMINEA1ZA40.74
SGNN,O6-DISULFO-GLUCOSAMINE11ZBA0.74
SGNN,O6-DISULFO-GLUCOSAMINEA1BFC0.74
SGNN,O6-DISULFO-GLUCOSAMINEA,B,C,D2VRA0.74
SGNN,O6-DISULFO-GLUCOSAMINEA2HYV0.74
SGNN,O6-DISULFO-GLUCOSAMINEH,I3B9F0.74
SGNN,O6-DISULFO-GLUCOSAMINEA,B3DY00.74
SGNN,O6-DISULFO-GLUCOSAMINEA2HYU0.74
SGNN,O6-DISULFO-GLUCOSAMINEB,C,D,E1E0O0.74
DL62-AZIDO-N-((2R,3R,4S,5S,6R)-3,4,5-
TRIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-
2H-PYRAN-2-YL)ACETAMIDE
A2FFR0.73
DMJ1-DEOXYMANNOJIRIMYCINA,B1KRE0.76
DMJ1-DEOXYMANNOJIRIMYCINA1FO20.76
DMJ1-DEOXYMANNOJIRIMYCINA1G6I0.76
DMJ1-DEOXYMANNOJIRIMYCINA1HXK0.76
GP1GLUCOSAMINE 1-PHOSPHATEA,B,C1Q9W0.74
GP1GLUCOSAMINE 1-PHOSPHATEA,B2OI60.74
GP1GLUCOSAMINE 1-PHOSPHATEA2FCP0.74
GP1GLUCOSAMINE 1-PHOSPHATEA1FCP0.74
GP1GLUCOSAMINE 1-PHOSPHATEA1UJW0.74
NOJ1-DEOXYNOJIRIMYCINA,B1OIM0.76
NOJ1-DEOXYNOJIRIMYCINA,B2J770.76
NOJ1-DEOXYNOJIRIMYCINA,B2JKE0.76
NOJ1-DEOXYNOJIRIMYCINA3GBE0.76
NOJ1-DEOXYNOJIRIMYCINA,B3GXT0.76
NOJ1-DEOXYNOJIRIMYCINA,B1DIE0.76
NOJ1-DEOXYNOJIRIMYCINA1DOG0.76
NOJ1-DEOXYNOJIRIMYCINA,B1I750.76
NOJ1-DEOXYNOJIRIMYCINA,B2PWD0.76
YTB(1R,2R,3S,4R,5R)-5-aminocyclopentane-
1,2,3,4-tetrol
A3DX30.76
TOC2,3,6-TRIDEOXY-2,6-DIAMINO GLUCOSEA2TOB0.77
TOC2,3,6-TRIDEOXY-2,6-DIAMINO GLUCOSEA1TOB0.77
GCN3-DEOXY-D-GLUCOSAMINEA1FI10.83
GCN3-DEOXY-D-GLUCOSAMINEA1QFG0.83
GCN3-DEOXY-D-GLUCOSAMINEA1QKC0.83
GCN3-DEOXY-D-GLUCOSAMINEA,B2GRX0.83
GCN3-DEOXY-D-GLUCOSAMINEA1QJQ0.83
GCN3-DEOXY-D-GLUCOSAMINEA1QFF0.83
GP4GLUCOSAMINE 4-PHOSPHATEA1FCP0.74
GP4GLUCOSAMINE 4-PHOSPHATEA,B,C1Q9W0.74
GP4GLUCOSAMINE 4-PHOSPHATEA2FCP0.74
LKA5-THIO-A/B-D-MANNOPYRANOSYLAMINEA1R330.75
YHO(1S,2S,3R,4R)-4-aminocyclopentane-
1,2,3-triol
A3DX10.74
PA2PAROMOMYCIN (RING 2)B1O9M0.72
PA2PAROMOMYCIN (RING 2)A1PBR0.72
GNSN-SULFO-ALPHA-D-GLUCOSAMINEA2ERM0.75
NOZ(2S,3S,4R,5R)-5-(hydroxymethyl)piperidine-
2,3,4-triol
A,B2VL40.71
GOO(1R,2R,3R,4S,5R)-4-amino-5-methoxycyclopentane-
1,2,3-triol
A3DX40.75
AOL(1R,2R,3S,4S,5R)-5-AMINOCYCLOPENTANE-
1,2,3,4-TETROL
A2F7Q0.76
NEB2-DEOXY-D-STREPTAMINEA1NEM0.77
CGBCALYSTEGINE B2A,B2CBV0.7
4GPN-(BETA-D-GLUCOPYRANOSYL)OXAMIC ACIDA2F3P0.71
CR11-DEOXY-1-METHOXYCARBAMIDO-BETA-
D-GLUCOPYRANOSE
A1FU70.79
PA1PAROMOMYCIN (RING 1)A1PBR0.83
PA1PAROMOMYCIN (RING 1)A1QKC0.83
PA1PAROMOMYCIN (RING 1)A1QFG0.83
PA1PAROMOMYCIN (RING 1)A1FI10.83
PA1PAROMOMYCIN (RING 1)A,B,C,D3FXI0.83
PA1PAROMOMYCIN (RING 1)A1QFF0.83
MURMURAMIC ACIDA,C,E,G1LOD0.7
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
A1QD30.81
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
B1O9M0.81
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
A1NEM0.81
GCSD-GLUCOSAMINEA3CO40.83
GCSD-GLUCOSAMINEA1QGI0.83
GCSD-GLUCOSAMINEA,B2VZS0.83
GCSD-GLUCOSAMINEA1E9L0.83
GCSD-GLUCOSAMINEA,B,C,D3FXI0.83
GCSD-GLUCOSAMINEA,B2VZV0.83
NTFN-TRIFLURO-ACETYL-BETA-D-GLUCOPYRANOSYLAMINEA1WW30.75
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1L5Q0.78
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3CEM0.78
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1L5R0.78
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1EXV0.78
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1L5S0.78
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1L7X0.78
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA1WW20.78
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA2PRJ0.78
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1FC00.78
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3CEJ0.78
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3CEH0.78
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1XOI0.78
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3DDW0.78
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B1EM60.78
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3DDS0.78
NBG1-N-ACETYL-BETA-D-GLUCOSAMINEA,B3DD10.78
TOA3-DEOXY-3-AMINO GLUCOSEA1TOB0.82
TOA3-DEOXY-3-AMINO GLUCOSEA2TOB0.82
AOG4-AMINO-2-OCTYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R820.72
OXZTETRAHYDROOXAZINEA,B1W3J0.78
OXZTETRAHYDROOXAZINEA1W3K0.78
OXZTETRAHYDROOXAZINEA1W3L0.78
GL6(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-2-YL)-PHOSPHORAMIDIC ACID DIMETHYL ESTER
A1XC70.83
XXX(2R,3S,4R,5R,6R)-6-((1R,2R,3S,4R,6S)-
4,6-DIAMINO-2,3-DIHYDROXYCYCLOHEXYLOXY)-
5-AMINO-2-(AMINOMETHYL)-TETRAHYDRO-
2H-PYRAN-3,4-DIOL
B2F4S0.72
XXX(2R,3S,4R,5R,6R)-6-((1R,2R,3S,4R,6S)-
4,6-DIAMINO-2,3-DIHYDROXYCYCLOHEXYLOXY)-
5-AMINO-2-(AMINOMETHYL)-TETRAHYDRO-
2H-PYRAN-3,4-DIOL
A,B2FCX0.72
XXX(2R,3S,4R,5R,6R)-6-((1R,2R,3S,4R,6S)-
4,6-DIAMINO-2,3-DIHYDROXYCYCLOHEXYLOXY)-
5-AMINO-2-(AMINOMETHYL)-TETRAHYDRO-
2H-PYRAN-3,4-DIOL
B2ET80.72
GRF5-O-PHOSPHONO-BETA-D-RIBOFURANOSYLAMINEA1ZLY0.79
CYY2-DEOXYSTREPTAMINEA1QD30.77
MYGGLUCOSAMINYL-(ALPHA-6)-D-MYO-INOSITOLA1GYM0.74
CGFC-(1-AZIDO-ALPHA-D-GLUCOPYRANOSYL) FORMAMIDEA1P4G0.84