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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03519820

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1GN2-DEOXY-2-AMINOGALACTOSEA,B3GAL0.83
DLGHEXYL 3-DEOXY-BETA-D-GALACTOPYRANOSEA1WT20.72
DLGHEXYL 3-DEOXY-BETA-D-GALACTOPYRANOSEA1R7T0.72
DLGHEXYL 3-DEOXY-BETA-D-GALACTOPYRANOSEA1R7U0.72
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7Y0.94
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7X0.94
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R810.94
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7V0.94
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R800.94
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
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
A1QD30.84
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
B1O9M0.84
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
A1NEM0.84
AMGALPHA-METHYL-D-GALACTOSIDEA,C,E,G1TP80.72
AMGALPHA-METHYL-D-GALACTOSIDEA,B,C,D1BXH0.72
AMGALPHA-METHYL-D-GALACTOSIDEA,C,E,G1WS40.72
AMGALPHA-METHYL-D-GALACTOSIDEA,B,C,D,E,F,
G,H
1FAY0.72
AMGALPHA-METHYL-D-GALACTOSIDEA3CA50.72
AMGALPHA-METHYL-D-GALACTOSIDEA,C,E,G1UH10.72
AMGALPHA-METHYL-D-GALACTOSIDEA,B1F9K0.72
AMGALPHA-METHYL-D-GALACTOSIDEA,B2Z490.72
AMGALPHA-METHYL-D-GALACTOSIDEA,C,E,G1TOQ0.72
AMGALPHA-METHYL-D-GALACTOSIDEA,B,C,D1WBL0.72
AMGALPHA-METHYL-D-GALACTOSIDEA,C,E,G1JAC0.72
DR36-DEOXY-ALPHA-L-GLUCOPYRANOSYL-
(1->2)-BETA-D-GULOPYRANOSYL-(1-
>3)-2-DEOXY-2-[(1-HYDROXYETHYL)AMINO]-
ALPHA-L-TALOPYRANOSE
A1ZJ20.72
DR36-DEOXY-ALPHA-L-GLUCOPYRANOSYL-
(1->2)-BETA-D-GULOPYRANOSYL-(1-
>3)-2-DEOXY-2-[(1-HYDROXYETHYL)AMINO]-
ALPHA-L-TALOPYRANOSE
A1ZI50.72
AD7octyl 3-amino-3-deoxy-2-O-(2,6-
dideoxy-alpha-L-lyxo-hexopyranosyl)-
beta-D-galactopyranoside
A2RJ90.82
AD7octyl 3-amino-3-deoxy-2-O-(2,6-
dideoxy-alpha-L-lyxo-hexopyranosyl)-
beta-D-galactopyranoside
A2RJ40.82
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
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A,B,C,D1YQ30.72
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A1LZI0.72
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A,B,C,D,E,F,
G,N,O,P,Q,R,
S,T
1PP90.72
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A,B2GMH0.72
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A,B,C,D,E,F,
G,O,P,Q,R,S,T
1PPJ0.72
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A1WT10.72
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A1WT30.72
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A1LZJ0.72
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A,B,C,D,E,F,
G,I,N,O,P,Q,
R,S,T,U,V,W
2A060.72
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A,B,C,D,N,O,
P,Q
2FBW0.72
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A,B,C,D1YQ40.72
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A,B,C,D2H890.72
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A,B,C,D,N,O,
P,Q
2H880.72
AOG4-AMINO-2-OCTYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R820.89
2GS2-O-METHYL-ALPHA-D-GALACTOPYRANOSEA,B,C,D2DTW0.7
9CS(1R,2S,3S,4R,6S)-4,6-DIAMINO-3-
[(3-AMINO-3-DEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]-
2-HYDROXYCYCLOHEXYL 2,6-DIAMINO-
2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSIDE
A2QIR0.75
EMP2,4-DIDEOXY-4-(ETHYLAMINO)-3-O-
METHYL ALPHA-L-THREO-PENTOPYRANOSIDE
A2PIK0.71
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1CPU0.89
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1NM90.89
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1MFV0.89
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1PIG0.89
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEX1Z320.89
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1MFU0.89
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA3BLK0.89
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEX3BLP0.89
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA3DHP0.89
GCSD-GLUCOSAMINEA3CO40.83
GCSD-GLUCOSAMINEA1QGI0.83
GCSD-GLUCOSAMINEA,B2VZS0.83
GCSD-GLUCOSAMINEA1E9L0.83
GCSD-GLUCOSAMINEA,B,C,D3FXI0.83
GCSD-GLUCOSAMINEA,B2VZV0.83
DEGBUTYL ALPHA-D-MANNOPYRANOSIDEA1UWF0.72
DEGBUTYL ALPHA-D-MANNOPYRANOSIDEA,B1TR70.72
DAG4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDEA2PIK0.89
DAG4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDEA6CGT0.89
DAG4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDEA,B1PIK0.89
CDR2,3-DIDEOXYFUCOSEA,B1D830.71
CDR2,3-DIDEOXYFUCOSEA,B,C,D1VAQ0.71
EAG2-aminoethyl 2-(acetylamino)-2-
deoxy-beta-D-glucopyranoside
B,D,E,F,H3BZ40.73