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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00458491

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AS52-(acetylamino)-4-O-[2-(acetylamino)-
2-deoxy-alpha-L-gulopyranosyl]-
1,5-anhydro-2-deoxy-D-mannitol
A,B2VLC0.74
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1RWG0.7
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1HM20.7
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1RWF0.7
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1OFL0.7
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A3C9E0.7
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A2C4S0.7
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1C4S0.7
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1OFM0.7
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1OJO0.7
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1HMW0.7
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1DQO0.7
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1HMU0.7
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1RWH0.7
AM2APRAMYCINB2OE80.7
AM2APRAMYCINA,B2OE50.7
AM2APRAMYCINA,B1YRJ0.7
AM2APRAMYCINA,B2G5K0.7
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
A2QIR0.8
2GS2-O-METHYL-ALPHA-D-GALACTOPYRANOSEA,B,C,D2DTW0.71
AMVMETHYL 2-(ACETYLAMINO)-3-O-[(1R)-
1-CARBOXYETHYL]-2-DEOXY-BETA-D-
GLUCOPYRANOSIDE
A2J8G0.72
AMVMETHYL 2-(ACETYLAMINO)-3-O-[(1R)-
1-CARBOXYETHYL]-2-DEOXY-BETA-D-
GLUCOPYRANOSIDE
A2J8F0.72
AOG4-AMINO-2-OCTYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R820.87
AMGALPHA-METHYL-D-GALACTOSIDEA,C,E,G1TP80.73
AMGALPHA-METHYL-D-GALACTOSIDEA,B,C,D1BXH0.73
AMGALPHA-METHYL-D-GALACTOSIDEA,C,E,G1WS40.73
AMGALPHA-METHYL-D-GALACTOSIDEA,B,C,D,E,F,
G,H
1FAY0.73
AMGALPHA-METHYL-D-GALACTOSIDEA3CA50.73
AMGALPHA-METHYL-D-GALACTOSIDEA,C,E,G1UH10.73
AMGALPHA-METHYL-D-GALACTOSIDEA,B1F9K0.73
AMGALPHA-METHYL-D-GALACTOSIDEA,B2Z490.73
AMGALPHA-METHYL-D-GALACTOSIDEA,C,E,G1TOQ0.73
AMGALPHA-METHYL-D-GALACTOSIDEA,B,C,D1WBL0.73
AMGALPHA-METHYL-D-GALACTOSIDEA,C,E,G1JAC0.73
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2E510.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1D0H0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1JOT0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1LLP0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEX,Y2EAL0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B1LU20.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,E,F2J3F0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1LU10.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSED,E,F,G,H,I,
J,K,L,M
3EFX0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2VMC0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2W7Y0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1FNZ0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2W1U0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEF2JHI0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,C,E,G1M260.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2DTY0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2J1U0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2CCV0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2A2D0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2AYS0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2ZUT0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1KYJ0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2VNG0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2Z480.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSE1,2,31BCH0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2K330.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2IXB0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B1ULF0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B1JLX0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1AX00.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA3CA30.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D1WMZ0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA3CA60.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSED,E,G,H1LTI0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2E7T0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEN,O,P,Q,R,S,
T,U,V,W
2O2L0.75
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
9MR(3R,4R,5R)-3-HYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-
4-YL BETA-D-GLUCOPYRANOSIDE
A3CUF0.77
9MR(3R,4R,5R)-3-HYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-
4-YL BETA-D-GLUCOPYRANOSIDE
A,B2OYK0.77
B7GHEPTYL-BETA-D-GLUCOPYRANOSIDEA,B1Y0S0.71
B7GHEPTYL-BETA-D-GLUCOPYRANOSIDEA,B2B500.71
B7GHEPTYL-BETA-D-GLUCOPYRANOSIDEA,B2ZNP0.71
B7GHEPTYL-BETA-D-GLUCOPYRANOSIDEA,B2AWH0.71
B7GHEPTYL-BETA-D-GLUCOPYRANOSIDEA,B2ZNQ0.71
B7GHEPTYL-BETA-D-GLUCOPYRANOSIDEA3GZ90.71
B7GHEPTYL-BETA-D-GLUCOPYRANOSIDEA,D1QPF0.71
B7GHEPTYL-BETA-D-GLUCOPYRANOSIDEA,B2BAW0.71
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7Y0.91
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7X0.91
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R810.91
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7V0.91
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R800.91
1GN2-DEOXY-2-AMINOGALACTOSEA,B3GAL0.89
ABDACARBOSE DERIVED HEXASACCHARIDEA1QHO0.71
B19N-{[(3AS,5AR,8AR,8BS)-2,2,7,7-TETRAMETHYLTETRAHYDRO-
3AH-BIS[1,3]DIOXOLO[4,5-B:4',5'-
D]PYRAN-3A-YL]METHYL}SULFAMIDE
A2H150.74
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
A1QD30.88
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
B1O9M0.88
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
A1NEM0.88
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
A164-O-(4,6-dideoxy-4-{[(1S,2S,3S,4R,5S)-
2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-
alpha-D-glucopyranosyl)-beta-D-
glucopyranose
A,B2VR50.7
ABL6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-PIPERIDINE-2,3,4-TRIOL
A,B1NAA0.79
ABL6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-PIPERIDINE-2,3,4-TRIOL
A2AXR0.79