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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03891803

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
9MR(3R,4R,5R)-3-HYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-
4-YL BETA-D-GLUCOPYRANOSIDE
A3CUF0.73
9MR(3R,4R,5R)-3-HYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-
4-YL BETA-D-GLUCOPYRANOSIDE
A,B2OYK0.73
AZCA1KTI0.71
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A2JCQ0.77
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A,B2IH90.77
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A,B,C,D,E,F2J2P0.77
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A3DIV0.77
B6D2,4-bis(acetylamino)-2,4,6-trideoxy-
beta-D-glucopyranose
A2K330.73
B6D2,4-bis(acetylamino)-2,4,6-trideoxy-
beta-D-glucopyranose
A,B3FIR0.73
AMUBETA-N-ACETYLMURAMIC ACIDA,B,C,D2APH0.7
AMUBETA-N-ACETYLMURAMIC ACIDA,P1TWQ0.7
AMUBETA-N-ACETYLMURAMIC ACIDA1D0K0.7
AMUBETA-N-ACETYLMURAMIC ACIDS9LYZ0.7
AMUBETA-N-ACETYLMURAMIC ACIDE,S148L0.7
AMUBETA-N-ACETYLMURAMIC ACIDD,K3CYQ0.7
AMUBETA-N-ACETYLMURAMIC ACIDU2AIZ0.7
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
1GN2-DEOXY-2-AMINOGALACTOSEA,B3GAL0.71
ABL6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-PIPERIDINE-2,3,4-TRIOL
A,B1NAA0.77
ABL6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-PIPERIDINE-2,3,4-TRIOL
A2AXR0.77
17B(2Z,3R,4S,5R,6R)-2-[(4-aminobutyl)imino]-
6-(hydroxymethyl)piperidine-3,4,5-
triol
A,B2VR40.77
1AB1,4-DIDEOXY-1,4-IMINO-D-ARABINITOLA2G9Q0.71
AS52-(acetylamino)-4-O-[2-(acetylamino)-
2-deoxy-alpha-L-gulopyranosyl]-
1,5-anhydro-2-deoxy-D-mannitol
A,B2VLC0.7
233[5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-2-YLCARBAMOYL)-
PENTYL]-CARBAMIC ACID METHYL ESTER
D,E,F,G,H1MD20.71
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1RWG0.71
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1HM20.71
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1RWF0.71
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1OFL0.71
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A3C9E0.71
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A2C4S0.71
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1C4S0.71
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1OFM0.71
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1OJO0.71
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1HMW0.71
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1DQO0.71
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1HMU0.71
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1RWH0.71
8GPA2F3U0.72
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
15A(2Z,3R,4S,5R,6R)-2-[(2-aminoethyl)imino]-
6-(hydroxymethyl)piperidine-3,4,5-
triol
A,B2VQT0.76
AOG4-AMINO-2-OCTYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R820.72
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7Y0.75
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7X0.75
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R810.75
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7V0.75
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R800.75
AXP4-ACETAMIDO-2,4-DIDEXOY-D-GLYCERO-
BETA-D-GALACTO-OCTOPYRANOSYLPHOSPHONIC ACID (AN AXIAL PHOSPHONATE)
A1INW0.71
AXP4-ACETAMIDO-2,4-DIDEXOY-D-GLYCERO-
BETA-D-GALACTO-OCTOPYRANOSYLPHOSPHONIC ACID (AN AXIAL PHOSPHONATE)
A1DIL0.71
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B,D1I1D0.7
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B2DKC0.7
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B,C,D,E,F1NE70.7
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B1FS50.7
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B2O280.7
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B1FRZ0.7
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B1HOT0.7
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA2VXK0.7