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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00015801

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
A2J8G0.84
AMVMETHYL 2-(ACETYLAMINO)-3-O-[(1R)-
1-CARBOXYETHYL]-2-DEOXY-BETA-D-
GLUCOPYRANOSIDE
A2J8F0.84
AMN9-DEOXY-9-AMINO-2-O-METHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID
A,B,C,D,E,F1HGJ0.72
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
ABL6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-PIPERIDINE-2,3,4-TRIOL
A,B1NAA0.74
ABL6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-PIPERIDINE-2,3,4-TRIOL
A2AXR0.74
AS52-(acetylamino)-4-O-[2-(acetylamino)-
2-deoxy-alpha-L-gulopyranosyl]-
1,5-anhydro-2-deoxy-D-mannitol
A,B2VLC0.73
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7Y0.81
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7X0.81
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R810.81
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7V0.81
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R800.81
7GPETHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATEA2F3S0.73
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,B2G5Q0.7
AMUBETA-N-ACETYLMURAMIC ACIDA,B,C,D2APH0.86
AMUBETA-N-ACETYLMURAMIC ACIDA,P1TWQ0.86
AMUBETA-N-ACETYLMURAMIC ACIDA1D0K0.86
AMUBETA-N-ACETYLMURAMIC ACIDS9LYZ0.86
AMUBETA-N-ACETYLMURAMIC ACIDE,S148L0.86
AMUBETA-N-ACETYLMURAMIC ACIDD,K3CYQ0.86
AMUBETA-N-ACETYLMURAMIC ACIDU2AIZ0.86
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1CPU0.82
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1NM90.82
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1MFV0.82
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1PIG0.82
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEX1Z320.82
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1MFU0.82
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA3BLK0.82
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEX3BLP0.82
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA3DHP0.82
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
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
A2QIR0.75
1GN2-DEOXY-2-AMINOGALACTOSEA,B3GAL0.85
AH02-(2-ACETYLAMINO-4-HYDROXY-6,8-
DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-
PROPIONIC ACID
A1QTE0.81
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
B2F4U0.72
AOG4-AMINO-2-OCTYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R820.78
AD7octyl 3-amino-3-deoxy-2-O-(2,6-
dideoxy-alpha-L-lyxo-hexopyranosyl)-
beta-D-galactopyranoside
A2RJ90.74
AD7octyl 3-amino-3-deoxy-2-O-(2,6-
dideoxy-alpha-L-lyxo-hexopyranosyl)-
beta-D-galactopyranoside
A2RJ40.74
6GPMETHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATEA2F3Q0.72
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
A,D,M,N,Z2F4V0.7
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
B2F4T0.7
ANA4-O-ACETYL-ALPHA-2-OMETHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID
A,B,C,D,E,F1HGI0.73