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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03715677

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AMUBETA-N-ACETYLMURAMIC ACIDA,B,C,D2APH0.73
AMUBETA-N-ACETYLMURAMIC ACIDA,P1TWQ0.73
AMUBETA-N-ACETYLMURAMIC ACIDA1D0K0.73
AMUBETA-N-ACETYLMURAMIC ACIDS9LYZ0.73
AMUBETA-N-ACETYLMURAMIC ACIDE,S148L0.73
AMUBETA-N-ACETYLMURAMIC ACIDD,K3CYQ0.73
AMUBETA-N-ACETYLMURAMIC ACIDU2AIZ0.73
AH02-(2-ACETYLAMINO-4-HYDROXY-6,8-
DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-
PROPIONIC ACID
A1QTE0.73
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2E510.78
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1D0H0.78
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1JOT0.78
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1LLP0.78
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEX,Y2EAL0.78
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B1LU20.78
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,E,F2J3F0.78
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1LU10.78
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSED,E,F,G,H,I,
J,K,L,M
3EFX0.78
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2VMC0.78
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2W7Y0.78
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1FNZ0.78
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2W1U0.78
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEF2JHI0.78
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,C,E,G1M260.78
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2DTY0.78
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2J1U0.78
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2CCV0.78
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2A2D0.78
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2AYS0.78
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2ZUT0.78
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1KYJ0.78
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2VNG0.78
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2Z480.78
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSE1,2,31BCH0.78
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2K330.78
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2IXB0.78
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B1ULF0.78
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B1JLX0.78
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1AX00.78
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA3CA30.78
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D1WMZ0.78
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA3CA60.78
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSED,E,G,H1LTI0.78
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2E7T0.78
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEN,O,P,Q,R,S,
T,U,V,W
2O2L0.78
AS52-(acetylamino)-4-O-[2-(acetylamino)-
2-deoxy-alpha-L-gulopyranosyl]-
1,5-anhydro-2-deoxy-D-mannitol
A,B2VLC0.73
233[5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-2-YLCARBAMOYL)-
PENTYL]-CARBAMIC ACID METHYL ESTER
D,E,F,G,H1MD20.72
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
6GPMETHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATEA2F3Q0.71
9MR(3R,4R,5R)-3-HYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-
4-YL BETA-D-GLUCOPYRANOSIDE
A3CUF0.72
9MR(3R,4R,5R)-3-HYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-
4-YL BETA-D-GLUCOPYRANOSIDE
A,B2OYK0.72
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A2JCQ0.81
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A,B2IH90.81
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A,B,C,D,E,F2J2P0.81
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A3DIV0.81
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
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1CPU0.72
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1NM90.72
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1MFV0.72
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1PIG0.72
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEX1Z320.72
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1MFU0.72
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA3BLK0.72
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEX3BLP0.72
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA3DHP0.72
AOL(1R,2R,3S,4S,5R)-5-AMINOCYCLOPENTANE-
1,2,3,4-TETROL
A2F7Q0.71
8GPA2F3U0.73
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B,D1I1D0.73
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B2DKC0.73
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B,C,D,E,F1NE70.73
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B1FS50.73
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B2O280.73
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B1FRZ0.73
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B1HOT0.73
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA2VXK0.73
1GN2-DEOXY-2-AMINOGALACTOSEA,B3GAL0.73
ABDACARBOSE DERIVED HEXASACCHARIDEA1QHO0.71
1AB1,4-DIDEOXY-1,4-IMINO-D-ARABINITOLA2G9Q0.77
ABL6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-PIPERIDINE-2,3,4-TRIOL
A,B1NAA0.76
ABL6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-PIPERIDINE-2,3,4-TRIOL
A2AXR0.76
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