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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02865172

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IABISO-ACARBOSEA1XCX0.7
AF14,6-dideoxy-4-{[(1S,4S,5S,6S)-4,5,6-
trihydroxy-3-(hydroxymethyl)cyclohex-
2-en-1-yl]amino}-beta-D-glucopyranose
A1BG90.77
3SAACARBOSE DERIVED TRISACCHARIDEA1XCW0.72
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL
A3BMW1
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL
A1E3Z1
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL
A1UH31
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL
A3BC91
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL
A1A471
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL
A2CXG1
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL
A,B1V3L1
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL
A,B1UKS1
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL
A1WPC1
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL
A,B1UKQ1
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL
A,B1UKT1
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL
A,B1V3M1
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL
A1UA71
OEV(1S,2S,3R,6R)-4-(hydroxymethyl)-
6-(octylamino)cyclohex-4-ene-1,2,3-
triol
A3D500.88
BEUN-[(1S,2R,5R,6R)-2-AMINO-5,6-DIHYDROXY-
4-(HYDROXYMETHYL)CYCLOHEX-3-EN-
1-YL]ACETAMIDE
A,B2JIW0.75
DHS3-AMINO-4,5-DIHYDROXY-CYCLOHEX-
1-ENECARBOXYLATE
A,B,C,D1L9W0.78
DHS3-AMINO-4,5-DIHYDROXY-CYCLOHEX-
1-ENECARBOXYLATE
A,B1QFE0.78
HMC5-HYDROXYMETHYL-CHONDURITOLA1MFV0.76
HMC5-HYDROXYMETHYL-CHONDURITOLA1NM90.76
HMC5-HYDROXYMETHYL-CHONDURITOLA1CPU0.76
HMC5-HYDROXYMETHYL-CHONDURITOLA1MFU0.76
HMC5-HYDROXYMETHYL-CHONDURITOLA1PIG0.76
HMC5-HYDROXYMETHYL-CHONDURITOLX1Z320.76
HMC5-HYDROXYMETHYL-CHONDURITOLX3BLP0.76
HMC5-HYDROXYMETHYL-CHONDURITOLA3BLK0.76
HMC5-HYDROXYMETHYL-CHONDURITOLA3DHP0.76
AC16-METHYL-5-(4,5,6-TRIHYDROXY-3-
HYDROXYMETHYL-CYCLOHEX-2-ENYLAMINO)-
TETRAHYDRO-PYRAN-2,3,4-TRIOL
A1W9X0.77
AC16-METHYL-5-(4,5,6-TRIHYDROXY-3-
HYDROXYMETHYL-CYCLOHEX-2-ENYLAMINO)-
TETRAHYDRO-PYRAN-2,3,4-TRIOL
A1B2Y0.77
AC16-METHYL-5-(4,5,6-TRIHYDROXY-3-
HYDROXYMETHYL-CYCLOHEX-2-ENYLAMINO)-
TETRAHYDRO-PYRAN-2,3,4-TRIOL
A1HX00.77
AC16-METHYL-5-(4,5,6-TRIHYDROXY-3-
HYDROXYMETHYL-CYCLOHEX-2-ENYLAMINO)-
TETRAHYDRO-PYRAN-2,3,4-TRIOL
A1OSE0.77
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,C2QPU0.7
ACRACARBOSEA1MXD0.7
ACRACARBOSEA,B2ZQ00.7
ACRACARBOSEA2F6D0.7
ACRACARBOSEA,X2QMJ0.7
ACRACARBOSEA2OWC0.7
ACRACARBOSEA2OWW0.7
ACRACARBOSEA1GAH0.7
ACRACARBOSEA,B1K1Y0.7
ACRACARBOSEA,B1DED0.7
ACRACARBOSEA1ESW0.7
ACRACARBOSEA1AGM0.7
ACRACARBOSEA1MXG0.7
ACRACARBOSEA,B1LF90.7
ACRACARBOSEA,B2ECP0.7
ACRACARBOSEA1KXH0.7
ACRACARBOSEA1ULV0.7
ACRACARBOSEA3BC90.7
DAF1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4-
TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE
A2GJP0.82
DAF1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4-
TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE
A1G9H0.82
DAF1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4-
TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE
A1BG90.82
DAF1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4-
TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE
A1PPI0.82
DAF1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4-
TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE
A1RP90.82
DAF1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4-
TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE
A1G940.82
DAF1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4-
TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE
A1RPK0.82
ADH1-AMINO-2,3-DIHYDROXY-5-HYDROXYMETHYL CYCLOHEX-
5-ENE
A1DTU0.96
ADH1-AMINO-2,3-DIHYDROXY-5-HYDROXYMETHYL CYCLOHEX-
5-ENE
A1KCK0.96
ADH1-AMINO-2,3-DIHYDROXY-5-HYDROXYMETHYL CYCLOHEX-
5-ENE
A2DIJ0.96
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
A2JF40.79
HSD(1S,2S,3R,6R)-6-amino-4-(hydroxymethyl)cyclohex-
4-ene-1,2,3-triol
A1UH31