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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03482239

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DAF1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4-
TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE		A2GJP0.91
DAF1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4-
TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE		A1G9H0.91
DAF1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4-
TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE		A1BG90.91
DAF1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4-
TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE		A1PPI0.91
DAF1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4-
TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE		A1RP90.91
DAF1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4-
TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE		A1G940.91
DAF1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4-
TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE		A1RPK0.91
AF14,6-dideoxy-4-{[(1S,4S,5S,6S)-4,5,6-
trihydroxy-3-(hydroxymethyl)cyclohex-
2-en-1-yl]amino}-beta-D-glucopyranose		A1BG90.98
IGCN-[(1S,2R,3E)-1-({[ALPHA-D-GALACTOPYRANOSYL-
(1->3)-BETA-D-GALACTOPYRANOSYL-
(1->4)-BETA-D-GLUCOPYRANOSYL]OXY}METHYL)-
2-HYDROXYHEPTADEC-3-EN-1-YL]OCTANAMIDE		A,C2Q7Y0.75
6SAACARBOSE DERIVED HEXASACCHARIDEA1XD10.88
VDM(1S,2S,3R,6S)-4-(HYDROXYMETHYL)-
6-{[(1S,2S,3S,4R,5R)-2,3,4-TRIHYDROXY-
5-(HYDROXYMETHYL)CYCLOHEXYL]AMINO}CYCLOHEX-
4-ENE-1,2,3-TRIOL		A2JF40.78
BEUN-[(1S,2R,5R,6R)-2-AMINO-5,6-DIHYDROXY-
4-(HYDROXYMETHYL)CYCLOHEX-3-EN-
1-YL]ACETAMIDE		A,B2JIW0.73
CIS(15Z)-N-((1S,2R,3E)-2-HYDROXY-1-
{[(3-O-SULFO-BETA-D-GALACTOPYRANOSYL)OXY]METHYL}HEPTADEC-
3-ENYL)TETRACOS-15-ENAMIDE		A,C2AKR0.74
3SAACARBOSE DERIVED TRISACCHARIDEA1XCW0.96
ABCMODIFIED ACARBOSE HEXASACCHARIDEA7TAA0.88
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL		A3BMW0.75
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL		A1E3Z0.75
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL		A1UH30.75
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL		A3BC90.75
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL		A1A470.75
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL		A2CXG0.75
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL		A,B1V3L0.75
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL		A,B1UKS0.75
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL		A1WPC0.75
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL		A,B1UKQ0.75
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL		A,B1UKT0.75
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL		A,B1V3M0.75
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL		A1UA70.75
QPU1,5-anhydro-4-O-(4,6-dideoxy-4-
{[(1S,2S,3S,4R,5S,6R)-2,3,4,6-tetrahydroxy-
5-methylcyclohexyl]amino}-alpha-
D-glucopyranosyl)-D-glucitol		A,B,C2QPU0.71
ABL6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-PIPERIDINE-2,3,4-TRIOL		A,B1NAA0.72
ABL6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-PIPERIDINE-2,3,4-TRIOL		A2AXR0.72
SLFSULFATE-3-D-GALACTOSYL-BETA-1-1-
N-STEAROYL-D-SPHINGOSINE		B,D3BRR0.74
SLFSULFATE-3-D-GALACTOSYL-BETA-1-1-
N-STEAROYL-D-SPHINGOSINE		A,C1ONQ0.74
ISXGLUCOSE BETA-1,3-ISOFAGAMINEA2BVD0.7
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
IABISO-ACARBOSEA1XCX0.93
HSD(1S,2S,3R,6R)-6-amino-4-(hydroxymethyl)cyclohex-
4-ene-1,2,3-triol		A1UH30.75
ADH1-AMINO-2,3-DIHYDROXY-5-HYDROXYMETHYL CYCLOHEX-
5-ENE		A1DTU0.72
ADH1-AMINO-2,3-DIHYDROXY-5-HYDROXYMETHYL CYCLOHEX-
5-ENE		A1KCK0.72
ADH1-AMINO-2,3-DIHYDROXY-5-HYDROXYMETHYL CYCLOHEX-
5-ENE		A2DIJ0.72
ACGMODIFIED ACARBOSE PENTASACCHARIDEA,B1LWJ0.89
OEV(1S,2S,3R,6R)-4-(hydroxymethyl)-
6-(octylamino)cyclohex-4-ene-1,2,3-
triol		A3D500.84
AREACARBOSE DERIVED PENTASACCHARIDEA3BAY0.89
AREACARBOSE DERIVED PENTASACCHARIDEA1XH20.89
AREACARBOSE DERIVED PENTASACCHARIDEA1XD00.89
AREACARBOSE DERIVED PENTASACCHARIDEA3BAJ0.89
AAOACARBOSE DERIVED HEXASACCHARIDEA1XH00.88
UCD(4S,5R,6R)-6-((2R,3R,4R,5R,6R)-
3-ACETAMIDO-2,5-DIHYDROXY-6-(HYDROXYMETHYL)-
TETRAHYDRO-2H-PYRAN-4-YLOXY)-4,5-
DIHYDROXY-5,6-DIHYDRO-4H-PYRAN-
2-CARBOXYLIC ACID		A,B2AHG0.75
UCD(4S,5R,6R)-6-((2R,3R,4R,5R,6R)-
3-ACETAMIDO-2,5-DIHYDROXY-6-(HYDROXYMETHYL)-
TETRAHYDRO-2H-PYRAN-4-YLOXY)-4,5-
DIHYDROXY-5,6-DIHYDRO-4H-PYRAN-
2-CARBOXYLIC ACID		A2D8L0.75
AC16-METHYL-5-(4,5,6-TRIHYDROXY-3-
HYDROXYMETHYL-CYCLOHEX-2-ENYLAMINO)-
TETRAHYDRO-PYRAN-2,3,4-TRIOL		A1W9X0.98
AC16-METHYL-5-(4,5,6-TRIHYDROXY-3-
HYDROXYMETHYL-CYCLOHEX-2-ENYLAMINO)-
TETRAHYDRO-PYRAN-2,3,4-TRIOL		A1B2Y0.98
AC16-METHYL-5-(4,5,6-TRIHYDROXY-3-
HYDROXYMETHYL-CYCLOHEX-2-ENYLAMINO)-
TETRAHYDRO-PYRAN-2,3,4-TRIOL		A1HX00.98
AC16-METHYL-5-(4,5,6-TRIHYDROXY-3-
HYDROXYMETHYL-CYCLOHEX-2-ENYLAMINO)-
TETRAHYDRO-PYRAN-2,3,4-TRIOL		A1OSE0.98
SFTSULFOGALACTOCERAMIDEA,B2BHI0.74
QV44,6-dideoxy-4-{[(1S,4R,5R,6S)-4-
{[alpha-D-glucopyranosyl-(1->4)-
alpha-D-glucopyranosyl-(1->4)-alpha-
D-glucopyranosyl]oxy}-5,6-dihydroxy-
3-(hydroxymethyl)cyclohex-2-en-
1-yl]amino}-alpha-D-glucopyranose		A2QV40.89
QPS4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-
trihydroxy-3-(hydroxymethyl)cyclohex-
2-en-1-yl]amino}-alpha-D-glucopyranosyl-
(1->4)-alpha-D-glucopyranosyl-(1-
>4)-beta-D-glucopyranose		A,B,C2QPU0.93
ACRACARBOSEA1MXD0.93
ACRACARBOSEA,B2ZQ00.93
ACRACARBOSEA2F6D0.93
ACRACARBOSEA,X2QMJ0.93
ACRACARBOSEA2OWC0.93
ACRACARBOSEA2OWW0.93
ACRACARBOSEA1GAH0.93
ACRACARBOSEA,B1K1Y0.93
ACRACARBOSEA,B1DED0.93
ACRACARBOSEA1ESW0.93
ACRACARBOSEA1AGM0.93
ACRACARBOSEA1MXG0.93
ACRACARBOSEA,B1LF90.93
ACRACARBOSEA,B2ECP0.93
ACRACARBOSEA1KXH0.93
ACRACARBOSEA1ULV0.93
ACRACARBOSEA3BC90.93
HS22-deoxy-4-O-(4-deoxy-alpha-L-threo-
hex-4-enopyranuronosyl)-2-{[(1R)-
1-hydroxyethyl]amino}-alpha-D-glucopyranose		A,B,C3E800.77
DR36-DEOXY-ALPHA-L-GLUCOPYRANOSYL-
(1->2)-BETA-D-GULOPYRANOSYL-(1-
>3)-2-DEOXY-2-[(1-HYDROXYETHYL)AMINO]-
ALPHA-L-TALOPYRANOSE		A1ZJ20.71
DR36-DEOXY-ALPHA-L-GLUCOPYRANOSYL-
(1->2)-BETA-D-GULOPYRANOSYL-(1-
>3)-2-DEOXY-2-[(1-HYDROXYETHYL)AMINO]-
ALPHA-L-TALOPYRANOSE		A1ZI50.71