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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02516016

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TOC2,3,6-TRIDEOXY-2,6-DIAMINO GLUCOSEA2TOB0.75
TOC2,3,6-TRIDEOXY-2,6-DIAMINO GLUCOSEA1TOB0.75
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
GCSD-GLUCOSAMINEA3CO40.7
GCSD-GLUCOSAMINEA1QGI0.7
GCSD-GLUCOSAMINEA,B2VZS0.7
GCSD-GLUCOSAMINEA1E9L0.7
GCSD-GLUCOSAMINEA,B,C,D3FXI0.7
GCSD-GLUCOSAMINEA,B2VZV0.7
IDGO-2,6-DIAMINO-2,6-DIDEOXY-BETA-
L-IDOPYRANOSE
A1QD30.71
IDGO-2,6-DIAMINO-2,6-DIDEOXY-BETA-
L-IDOPYRANOSE
A1NEM0.71
IDGO-2,6-DIAMINO-2,6-DIDEOXY-BETA-
L-IDOPYRANOSE
A1PBR0.71
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
B2F4S0.71
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,B2FCX0.71
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
B2ET80.71
9MR(3R,4R,5R)-3-HYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-
4-YL BETA-D-GLUCOPYRANOSIDE
A3CUF0.7
9MR(3R,4R,5R)-3-HYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-
4-YL BETA-D-GLUCOPYRANOSIDE
A,B2OYK0.7
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7Y0.82
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7X0.82
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R810.82
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7V0.82
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R800.82
DLGHEXYL 3-DEOXY-BETA-D-GALACTOPYRANOSEA1WT20.73
DLGHEXYL 3-DEOXY-BETA-D-GALACTOPYRANOSEA1R7T0.73
DLGHEXYL 3-DEOXY-BETA-D-GALACTOPYRANOSEA1R7U0.73
TOA3-DEOXY-3-AMINO GLUCOSEA1TOB0.75
TOA3-DEOXY-3-AMINO GLUCOSEA2TOB0.75
AOG4-AMINO-2-OCTYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R820.79
GU82,3,6-TRI-O-METHYL-BETA-D-GLUCOPYRANOSEA,B,D,I2B5T0.71
GU82,3,6-TRI-O-METHYL-BETA-D-GLUCOPYRANOSEH,I1TB60.71
H1Mmethyl 2-deoxy-2-(2-hydroxyethyl)-
alpha-D-mannopyranoside
A,B,C,D3D4K0.74
ERI4-O-ACETYL-2,6-DIDEOXY-3-C-METHYL-
BETA-L-ARABINO-HEXOPYRANOSE
A,B1D830.7
ERI4-O-ACETYL-2,6-DIDEOXY-3-C-METHYL-
BETA-L-ARABINO-HEXOPYRANOSE
A,B1EKH0.7
ERI4-O-ACETYL-2,6-DIDEOXY-3-C-METHYL-
BETA-L-ARABINO-HEXOPYRANOSE
A,B1EKI0.7
ERI4-O-ACETYL-2,6-DIDEOXY-3-C-METHYL-
BETA-L-ARABINO-HEXOPYRANOSE
A,B,C,D1VAQ0.7
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
AD7octyl 3-amino-3-deoxy-2-O-(2,6-
dideoxy-alpha-L-lyxo-hexopyranosyl)-
beta-D-galactopyranoside
A2RJ90.72
AD7octyl 3-amino-3-deoxy-2-O-(2,6-
dideoxy-alpha-L-lyxo-hexopyranosyl)-
beta-D-galactopyranoside
A2RJ40.72
MDA2,6-DIDEOXY-3 C-METHYL-D-RIBOPYRANOSIDEA,B146D0.71
MDA2,6-DIDEOXY-3 C-METHYL-D-RIBOPYRANOSIDEA,B207D0.71
MDA2,6-DIDEOXY-3 C-METHYL-D-RIBOPYRANOSIDEA,B1BP80.71
DEGBUTYL ALPHA-D-MANNOPYRANOSIDEA1UWF0.73
DEGBUTYL ALPHA-D-MANNOPYRANOSIDEA,B1TR70.73
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1CPU0.75
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1NM90.75
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1MFV0.75
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1PIG0.75
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEX1Z320.75
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1MFU0.75
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA3BLK0.75
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEX3BLP0.75
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA3DHP0.75
GU92,3,6-TRI-O-METHYL-ALPHA-D-GLUCOPYRANOSEH,I1TB60.71
GU92,3,6-TRI-O-METHYL-ALPHA-D-GLUCOPYRANOSEA,B,D,I2B5T0.71
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
A1QD30.71
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
B1O9M0.71
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
A1NEM0.71
MYGGLUCOSAMINYL-(ALPHA-6)-D-MYO-INOSITOLA1GYM0.73
1GN2-DEOXY-2-AMINOGALACTOSEA,B3GAL0.7
GDA4-DEOXY-4-AMINO-BETA-D-GLUCOSEA,B1OCB0.74
OPMO1-PENTYL-MANNOSEA,B3GXY0.73
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A,B,C,D1YQ30.73
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A1LZI0.73
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A,B,C,D,E,F,
G,N,O,P,Q,R,
S,T
1PP90.73
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A,B2GMH0.73
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A,B,C,D,E,F,
G,O,P,Q,R,S,T
1PPJ0.73
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A1WT10.73
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A1WT30.73
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A1LZJ0.73
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
2A060.73
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A,B,C,D,N,O,
P,Q
2FBW0.73
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A,B,C,D1YQ40.73
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A,B,C,D2H890.73
BHG2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-3,4,5-TRIOL
A,B,C,D,N,O,
P,Q
2H880.73
DAG4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDEA2PIK0.75
DAG4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDEA6CGT0.75
DAG4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDEA,B1PIK0.75
B7GHEPTYL-BETA-D-GLUCOPYRANOSIDEA,B1Y0S0.7
B7GHEPTYL-BETA-D-GLUCOPYRANOSIDEA,B2B500.7
B7GHEPTYL-BETA-D-GLUCOPYRANOSIDEA,B2ZNP0.7
B7GHEPTYL-BETA-D-GLUCOPYRANOSIDEA,B2AWH0.7
B7GHEPTYL-BETA-D-GLUCOPYRANOSIDEA,B2ZNQ0.7
B7GHEPTYL-BETA-D-GLUCOPYRANOSIDEA3GZ90.7
B7GHEPTYL-BETA-D-GLUCOPYRANOSIDEA,D1QPF0.7
B7GHEPTYL-BETA-D-GLUCOPYRANOSIDEA,B2BAW0.7