Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02444557
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
QV4 | 4,6-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 | A | 2QV4 | 0.71 | |
IAB | ISO-ACARBOSE | A | 1XCX | 0.73 | |
ACG | MODIFIED ACARBOSE PENTASACCHARIDE | A,B | 1LWJ | 0.71 | |
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 | A | 2JF4 | 1 | |
3SA | ACARBOSE DERIVED TRISACCHARIDE | A | 1XCW | 0.75 | |
ARE | ACARBOSE DERIVED PENTASACCHARIDE | A | 3BAY | 0.71 | |
ARE | ACARBOSE DERIVED PENTASACCHARIDE | A | 1XH2 | 0.71 | |
ARE | ACARBOSE DERIVED PENTASACCHARIDE | A | 1XD0 | 0.71 | |
ARE | ACARBOSE DERIVED PENTASACCHARIDE | A | 3BAJ | 0.71 | |
HSD | (1S,2S,3R,6R)-6-amino-4-(hydroxymethyl)cyclohex- 4-ene-1,2,3-triol | A | 1UH3 | 0.79 | |
AC1 | 6-METHYL-5-(4,5,6-TRIHYDROXY-3- HYDROXYMETHYL-CYCLOHEX-2-ENYLAMINO)- TETRAHYDRO-PYRAN-2,3,4-TRIOL | A | 1W9X | 0.8 | |
AC1 | 6-METHYL-5-(4,5,6-TRIHYDROXY-3- HYDROXYMETHYL-CYCLOHEX-2-ENYLAMINO)- TETRAHYDRO-PYRAN-2,3,4-TRIOL | A | 1B2Y | 0.8 | |
AC1 | 6-METHYL-5-(4,5,6-TRIHYDROXY-3- HYDROXYMETHYL-CYCLOHEX-2-ENYLAMINO)- TETRAHYDRO-PYRAN-2,3,4-TRIOL | A | 1HX0 | 0.8 | |
AC1 | 6-METHYL-5-(4,5,6-TRIHYDROXY-3- HYDROXYMETHYL-CYCLOHEX-2-ENYLAMINO)- TETRAHYDRO-PYRAN-2,3,4-TRIOL | A | 1OSE | 0.8 | |
ACI | 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX- 4-ENE-1,2,3-TRIOL | A | 3BMW | 0.79 | |
ACI | 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX- 4-ENE-1,2,3-TRIOL | A | 1E3Z | 0.79 | |
ACI | 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX- 4-ENE-1,2,3-TRIOL | A | 1UH3 | 0.79 | |
ACI | 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX- 4-ENE-1,2,3-TRIOL | A | 3BC9 | 0.79 | |
ACI | 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX- 4-ENE-1,2,3-TRIOL | A | 1A47 | 0.79 | |
ACI | 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX- 4-ENE-1,2,3-TRIOL | A | 2CXG | 0.79 | |
ACI | 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX- 4-ENE-1,2,3-TRIOL | A,B | 1V3L | 0.79 | |
ACI | 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX- 4-ENE-1,2,3-TRIOL | A,B | 1UKS | 0.79 | |
ACI | 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX- 4-ENE-1,2,3-TRIOL | A | 1WPC | 0.79 | |
ACI | 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX- 4-ENE-1,2,3-TRIOL | A,B | 1UKQ | 0.79 | |
ACI | 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX- 4-ENE-1,2,3-TRIOL | A,B | 1UKT | 0.79 | |
ACI | 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX- 4-ENE-1,2,3-TRIOL | A,B | 1V3M | 0.79 | |
ACI | 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX- 4-ENE-1,2,3-TRIOL | A | 1UA7 | 0.79 | |
BEU | N-[(1S,2R,5R,6R)-2-AMINO-5,6-DIHYDROXY- 4-(HYDROXYMETHYL)CYCLOHEX-3-EN- 1-YL]ACETAMIDE | A,B | 2JIW | 0.8 | |
DAF | 1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4- TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE | A | 2GJP | 0.83 | |
DAF | 1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4- TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE | A | 1G9H | 0.83 | |
DAF | 1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4- TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE | A | 1BG9 | 0.83 | |
DAF | 1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4- TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE | A | 1PPI | 0.83 | |
DAF | 1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4- TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE | A | 1RP9 | 0.83 | |
DAF | 1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4- TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE | A | 1G94 | 0.83 | |
DAF | 1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4- TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE | A | 1RPK | 0.83 | |
OEV | (1S,2S,3R,6R)-4-(hydroxymethyl)- 6-(octylamino)cyclohex-4-ene-1,2,3- triol | A | 3D50 | 0.86 | |
AF1 | 4,6-dideoxy-4-{[(1S,4S,5S,6S)-4,5,6- trihydroxy-3-(hydroxymethyl)cyclohex- 2-en-1-yl]amino}-beta-D-glucopyranose | A | 1BG9 | 0.8 | |
ACR | ACARBOSE | A | 1MXD | 0.73 | |
ACR | ACARBOSE | A,B | 2ZQ0 | 0.73 | |
ACR | ACARBOSE | A | 2F6D | 0.73 | |
ACR | ACARBOSE | A,X | 2QMJ | 0.73 | |
ACR | ACARBOSE | A | 2OWC | 0.73 | |
ACR | ACARBOSE | A | 2OWW | 0.73 | |
ACR | ACARBOSE | A | 1GAH | 0.73 | |
ACR | ACARBOSE | A,B | 1K1Y | 0.73 | |
ACR | ACARBOSE | A,B | 1DED | 0.73 | |
ACR | ACARBOSE | A | 1ESW | 0.73 | |
ACR | ACARBOSE | A | 1AGM | 0.73 | |
ACR | ACARBOSE | A | 1MXG | 0.73 | |
ACR | ACARBOSE | A,B | 1LF9 | 0.73 | |
ACR | ACARBOSE | A,B | 2ECP | 0.73 | |
ACR | ACARBOSE | A | 1KXH | 0.73 | |
ACR | ACARBOSE | A | 1ULV | 0.73 | |
ACR | ACARBOSE | A | 3BC9 | 0.73 | |
ADH | 1-AMINO-2,3-DIHYDROXY-5-HYDROXYMETHYL CYCLOHEX- 5-ENE | A | 1DTU | 0.75 | |
ADH | 1-AMINO-2,3-DIHYDROXY-5-HYDROXYMETHYL CYCLOHEX- 5-ENE | A | 1KCK | 0.75 | |
ADH | 1-AMINO-2,3-DIHYDROXY-5-HYDROXYMETHYL CYCLOHEX- 5-ENE | A | 2DIJ | 0.75 | |
QPS | 4,6-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,C | 2QPU | 0.73 |