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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02413255

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
AH02-(2-ACETYLAMINO-4-HYDROXY-6,8-
DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-
PROPIONIC ACID
A1QTE0.74
AMUBETA-N-ACETYLMURAMIC ACIDA,B,C,D2APH0.74
AMUBETA-N-ACETYLMURAMIC ACIDA,P1TWQ0.74
AMUBETA-N-ACETYLMURAMIC ACIDA1D0K0.74
AMUBETA-N-ACETYLMURAMIC ACIDS9LYZ0.74
AMUBETA-N-ACETYLMURAMIC ACIDE,S148L0.74
AMUBETA-N-ACETYLMURAMIC ACIDD,K3CYQ0.74
AMUBETA-N-ACETYLMURAMIC ACIDU2AIZ0.74
7GPETHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATEA2F3S0.73
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
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A2JCQ0.75
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A,B2IH90.75
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A,B,C,D,E,F2J2P0.75
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A3DIV0.75
233[5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-2-YLCARBAMOYL)-
PENTYL]-CARBAMIC ACID METHYL ESTER
D,E,F,G,H1MD20.73
1GN2-DEOXY-2-AMINOGALACTOSEA,B3GAL0.76
4GPN-(BETA-D-GLUCOPYRANOSYL)OXAMIC ACIDA2F3P0.73
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1RWG0.74
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1HM20.74
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1RWF0.74
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1OFL0.74
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A3C9E0.74
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A2C4S0.74
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1C4S0.74
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1OFM0.74
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1OJO0.74
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1HMW0.74
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1DQO0.74
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1HMU0.74
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1RWH0.74
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,B2VR50.71
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B,D1I1D0.74
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B2DKC0.74
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B,C,D,E,F1NE70.74
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B1FS50.74
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B2O280.74
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B1FRZ0.74
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B1HOT0.74
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA2VXK0.74
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7Y0.72
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7X0.72
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R810.72
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7V0.72
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R800.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2E510.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1D0H0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1JOT0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1LLP0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEX,Y2EAL0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B1LU20.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,E,F2J3F0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1LU10.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSED,E,F,G,H,I,
J,K,L,M
3EFX0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2VMC0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2W7Y0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1FNZ0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2W1U0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEF2JHI0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,C,E,G1M260.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2DTY0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2J1U0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2CCV0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2A2D0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2AYS0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2ZUT0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1KYJ0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2VNG0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2Z480.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSE1,2,31BCH0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2K330.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2IXB0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B1ULF0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B1JLX0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1AX00.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA3CA30.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D1WMZ0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA3CA60.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSED,E,G,H1LTI0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2E7T0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEN,O,P,Q,R,S,
T,U,V,W
2O2L0.79
ABDACARBOSE DERIVED HEXASACCHARIDEA1QHO0.71
ABL6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-PIPERIDINE-2,3,4-TRIOL
A,B1NAA0.81
ABL6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-PIPERIDINE-2,3,4-TRIOL
A2AXR0.81
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1CPU0.73
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1NM90.73
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1MFV0.73
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1PIG0.73
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEX1Z320.73
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1MFU0.73
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA3BLK0.73
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEX3BLP0.73
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA3DHP0.73
9MR(3R,4R,5R)-3-HYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-
4-YL BETA-D-GLUCOPYRANOSIDE
A3CUF0.81
9MR(3R,4R,5R)-3-HYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-
4-YL BETA-D-GLUCOPYRANOSIDE
A,B2OYK0.81
6GPMETHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATEA2F3Q0.72
8GPA2F3U0.7