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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03764584

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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		A2QV40.88
9AM9-AMINO-2-DEOXY-2,3-DEHYDRO-N-ACETYL-
NEURAMINIC ACID		A1F8D0.71
AF14,6-dideoxy-4-{[(1S,4S,5S,6S)-4,5,6-
trihydroxy-3-(hydroxymethyl)cyclohex-
2-en-1-yl]amino}-beta-D-glucopyranose		A1BG91
IABISO-ACARBOSEA1XCX0.91
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL		A3BMW0.77
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL		A1E3Z0.77
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL		A1UH30.77
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL		A3BC90.77
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL		A1A470.77
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL		A2CXG0.77
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL		A,B1V3L0.77
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL		A,B1UKS0.77
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL		A1WPC0.77
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL		A,B1UKQ0.77
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL		A,B1UKT0.77
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL		A,B1V3M0.77
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL		A1UA70.77
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,C2Q7Y0.73
AAOACARBOSE DERIVED HEXASACCHARIDEA1XH00.86
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDH,J,L1RV00.71
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA2QWC0.71
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA2SIM0.71
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1IVF0.71
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1SLI0.71
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1MS10.71
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1USR0.71
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B,C,D2CEX0.71
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1MS00.71
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1W8N0.71
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1V3D0.71
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B2F270.71
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B2F290.71
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1W0O0.71
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1MZ60.71
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B,C1WCQ0.71
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1NSD0.71
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA2VW10.71
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1E8V0.71
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B2F250.71
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1Z500.71
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA2VK60.71
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1MS80.71
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B3H730.71
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1EUS0.71
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1F8B0.71
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA2HTW0.71
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1NNB0.71
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1Z4Z0.71
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B2VVZ0.71
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1N1V0.71
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B,C1USX0.71
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1Z4W0.71
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1VCU0.71
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1N1T0.71
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA2HTR0.71
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1Z4V0.71
SLFSULFATE-3-D-GALACTOSYL-BETA-1-1-
N-STEAROYL-D-SPHINGOSINE		B,D3BRR0.73
SLFSULFATE-3-D-GALACTOSYL-BETA-1-1-
N-STEAROYL-D-SPHINGOSINE		A,C1ONQ0.73
DAF1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4-
TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE		A2GJP0.93
DAF1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4-
TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE		A1G9H0.93
DAF1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4-
TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE		A1BG90.93
DAF1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4-
TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE		A1PPI0.93
DAF1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4-
TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE		A1RP90.93
DAF1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4-
TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE		A1G940.93
DAF1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4-
TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE		A1RPK0.93
ACGMODIFIED ACARBOSE PENTASACCHARIDEA,B1LWJ0.88
BEUN-[(1S,2R,5R,6R)-2-AMINO-5,6-DIHYDROXY-
4-(HYDROXYMETHYL)CYCLOHEX-3-EN-
1-YL]ACETAMIDE		A,B2JIW0.75
ABL6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-PIPERIDINE-2,3,4-TRIOL		A,B1NAA0.7
ABL6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-PIPERIDINE-2,3,4-TRIOL		A2AXR0.7
CIS(15Z)-N-((1S,2R,3E)-2-HYDROXY-1-
{[(3-O-SULFO-BETA-D-GALACTOPYRANOSYL)OXY]METHYL}HEPTADEC-
3-ENYL)TETRACOS-15-ENAMIDE		A,C2AKR0.73
AREACARBOSE DERIVED PENTASACCHARIDEA3BAY0.88
AREACARBOSE DERIVED PENTASACCHARIDEA1XH20.88
AREACARBOSE DERIVED PENTASACCHARIDEA1XD00.88
AREACARBOSE DERIVED PENTASACCHARIDEA3BAJ0.88
SFTSULFOGALACTOCERAMIDEA,B2BHI0.72
AC16-METHYL-5-(4,5,6-TRIHYDROXY-3-
HYDROXYMETHYL-CYCLOHEX-2-ENYLAMINO)-
TETRAHYDRO-PYRAN-2,3,4-TRIOL		A1W9X1
AC16-METHYL-5-(4,5,6-TRIHYDROXY-3-
HYDROXYMETHYL-CYCLOHEX-2-ENYLAMINO)-
TETRAHYDRO-PYRAN-2,3,4-TRIOL		A1B2Y1
AC16-METHYL-5-(4,5,6-TRIHYDROXY-3-
HYDROXYMETHYL-CYCLOHEX-2-ENYLAMINO)-
TETRAHYDRO-PYRAN-2,3,4-TRIOL		A1HX01
AC16-METHYL-5-(4,5,6-TRIHYDROXY-3-
HYDROXYMETHYL-CYCLOHEX-2-ENYLAMINO)-
TETRAHYDRO-PYRAN-2,3,4-TRIOL		A1OSE1
ACRACARBOSEA1MXD0.91
ACRACARBOSEA,B2ZQ00.91
ACRACARBOSEA2F6D0.91
ACRACARBOSEA,X2QMJ0.91
ACRACARBOSEA2OWC0.91
ACRACARBOSEA2OWW0.91
ACRACARBOSEA1GAH0.91
ACRACARBOSEA,B1K1Y0.91
ACRACARBOSEA,B1DED0.91
ACRACARBOSEA1ESW0.91
ACRACARBOSEA1AGM0.91
ACRACARBOSEA1MXG0.91
ACRACARBOSEA,B1LF90.91
ACRACARBOSEA,B2ECP0.91
ACRACARBOSEA1KXH0.91
ACRACARBOSEA1ULV0.91
ACRACARBOSEA3BC90.91
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,C2QPU0.91
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		A2JF40.8
3SAACARBOSE DERIVED TRISACCHARIDEA1XCW0.94
6SAACARBOSE DERIVED HEXASACCHARIDEA1XD10.86
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
ABCMODIFIED ACARBOSE HEXASACCHARIDEA7TAA0.86
ADH1-AMINO-2,3-DIHYDROXY-5-HYDROXYMETHYL CYCLOHEX-
5-ENE		A1DTU0.74
ADH1-AMINO-2,3-DIHYDROXY-5-HYDROXYMETHYL CYCLOHEX-
5-ENE		A1KCK0.74
ADH1-AMINO-2,3-DIHYDROXY-5-HYDROXYMETHYL CYCLOHEX-
5-ENE		A2DIJ0.74
OEV(1S,2S,3R,6R)-4-(hydroxymethyl)-
6-(octylamino)cyclohex-4-ene-1,2,3-
triol		A3D500.86
HS22-deoxy-4-O-(4-deoxy-alpha-L-threo-
hex-4-enopyranuronosyl)-2-{[(1R)-
1-hydroxyethyl]amino}-alpha-D-glucopyranose		A,B,C3E800.77
HSD(1S,2S,3R,6R)-6-amino-4-(hydroxymethyl)cyclohex-
4-ene-1,2,3-triol		A1UH30.77