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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03919290

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AMVMETHYL 2-(ACETYLAMINO)-3-O-[(1R)-
1-CARBOXYETHYL]-2-DEOXY-BETA-D-
GLUCOPYRANOSIDE		A2J8G0.74
AMVMETHYL 2-(ACETYLAMINO)-3-O-[(1R)-
1-CARBOXYETHYL]-2-DEOXY-BETA-D-
GLUCOPYRANOSIDE		A2J8F0.74
AM2APRAMYCINB2OE80.78
AM2APRAMYCINA,B2OE50.78
AM2APRAMYCINA,B1YRJ0.78
AM2APRAMYCINA,B2G5K0.78
AKN(2R)-4-AMINO-N-{(1R,2S,3S,4R,5S)-
5-AMINO-2-[(3-AMINO-3-DEOXY-ALPHA-
D-GLUCOPYRANOSYL)OXY]-4-[(6-AMINO-
6-DEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]-
3-HYDROXYCYCLOHEXYL}-2-HYDROXYBUTANAMIDE		A,B2G5Q0.74
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL		A1R7Y0.87
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL		A1R7X0.87
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL		A1R810.87
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL		A1R7V0.87
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL		A1R800.87
AD7octyl 3-amino-3-deoxy-2-O-(2,6-
dideoxy-alpha-L-lyxo-hexopyranosyl)-
beta-D-galactopyranoside		A2RJ90.87
AD7octyl 3-amino-3-deoxy-2-O-(2,6-
dideoxy-alpha-L-lyxo-hexopyranosyl)-
beta-D-galactopyranoside		A2RJ40.87
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
AMUBETA-N-ACETYLMURAMIC ACIDA,B,C,D2APH0.72
AMUBETA-N-ACETYLMURAMIC ACIDA,P1TWQ0.72
AMUBETA-N-ACETYLMURAMIC ACIDA1D0K0.72
AMUBETA-N-ACETYLMURAMIC ACIDS9LYZ0.72
AMUBETA-N-ACETYLMURAMIC ACIDE,S148L0.72
AMUBETA-N-ACETYLMURAMIC ACIDD,K3CYQ0.72
AMUBETA-N-ACETYLMURAMIC ACIDU2AIZ0.72
1GN2-DEOXY-2-AMINOGALACTOSEA,B3GAL0.88
ABDACARBOSE DERIVED HEXASACCHARIDEA1QHO0.75
2TB1,3-DIAMINO-4,5,6-TRIHYDROXY-CYCLOHEXANEA2TOB0.72
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,B2VR50.76
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1CPU0.83
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1NM90.83
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1MFV0.83
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1PIG0.83
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEX1Z320.83
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1MFU0.83
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA3BLK0.83
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEX3BLP0.83
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA3DHP0.83
AS52-(acetylamino)-4-O-[2-(acetylamino)-
2-deoxy-alpha-L-gulopyranosyl]-
1,5-anhydro-2-deoxy-D-mannitol		A,B2VLC0.82
AB6(2R)-4-AMINO-N-((1R,2S,3R,4R,5S)-
5-AMINO-4-[(2-AMINO-2-DEOXY-ALPHA-
D-GLUCOPYRANOSYL)OXY]-2-{2-[(3-
AMINOPROPYL)AMINO]ETHOXY}-3-HYDROXYCYCLOHEXYL)-
2-HYDROXYBUTANAMIDE		B2F4U0.74
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		A2QIR0.92
AOG4-AMINO-2-OCTYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL		A1R820.84
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B,D1I1D0.72
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B2DKC0.72
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B,C,D,E,F1NE70.72
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B1FS50.72
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B2O280.72
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B1FRZ0.72
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B1HOT0.72
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA2VXK0.72
ABL6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-PIPERIDINE-2,3,4-TRIOL		A,B1NAA0.88
ABL6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-PIPERIDINE-2,3,4-TRIOL		A2AXR0.88
AB9(2R)-4-AMINO-N-{(1R,2S,3R,4R,5S)-
5-AMINO-2-{2-[(2-AMINOETHYL)AMINO]ETHOXY}-
4-[(2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSYL)OXY]-3-HYDROXYCYCLOHEXYL}-
2-HYDROXYBUTANAMIDE		A,D,M,N,Z2F4V0.72
AB9(2R)-4-AMINO-N-{(1R,2S,3R,4R,5S)-
5-AMINO-2-{2-[(2-AMINOETHYL)AMINO]ETHOXY}-
4-[(2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSYL)OXY]-3-HYDROXYCYCLOHEXYL}-
2-HYDROXYBUTANAMIDE		B2F4T0.72
9MR(3R,4R,5R)-3-HYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-
4-YL BETA-D-GLUCOPYRANOSIDE		A3CUF0.79
9MR(3R,4R,5R)-3-HYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-
4-YL BETA-D-GLUCOPYRANOSIDE		A,B2OYK0.79