Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01064724
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 |
2VA![]() | 2'-(L-VALYL)AMINO-2'-DEOXYADENOSINE | A | 1WNZ | 0.76 | ![]() |
ETB![]() | Ethyl Coenzyme A | A | 3B30 | 0.72 | ![]() |
O8M![]() | 2-[{[(2R,3S,4R,5R)-5-(6-amino-8- methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran- 2-yl]methyl}(methyl)amino]acetamide | A,B | 3DZ7 | 0.72 | ![]() |
52H![]() | 5'-O-{[(2R)-2-hydroxy-3,3-dimethylbutanoyl]sulfamoyl}adenosine | A,B | 3COW | 0.71 | ![]() |
A5A![]() | '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE | A | 2ZTG | 0.7 | ![]() |
A5A![]() | '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE | A | 1NJ6 | 0.7 | ![]() |
A5A![]() | '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE | A | 2Z0K | 0.7 | ![]() |
PPZ![]() | 2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO- ETHANOL | A,B | 1I5V | 0.75 | ![]() |
EEM![]() | [(3S)-3-amino-4-hydroxy-4-oxo-butyl]- [[(2S,3S,4R,5R)-5-(6-aminopurin- 9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl]- methyl-selanium | A | 3E5F | 0.72 | ![]() |
ARP![]() | 9-HYDROXYPROPYLADENINE, R-ISOMER | A,B | 1E2I | 0.7 | ![]() |
VAA![]() | N-[VALINYL]-N'-[ADENOSYL]-DIAMINOSUFONE | A,B | 1IVS | 0.73 | ![]() |
VAA![]() | N-[VALINYL]-N'-[ADENOSYL]-DIAMINOSUFONE | A,B | 1GAX | 0.73 | ![]() |
APS![]() | 9-HYDROXYPROPYLADENINE, S-ISOMER | A,B | 1E2I | 0.7 | ![]() |
A8M![]() | 5'-[(3-aminopropyl)(methyl)amino]- 5'-deoxy-8-methyladenosine | A,B | 3DZ2 | 0.71 | ![]() |
CMX![]() | CARBOXYMETHYLDETHIA COENZYME *A | A,B,C,D,E,F | 2H12 | 0.7 | ![]() |
CMX![]() | CARBOXYMETHYLDETHIA COENZYME *A | A | 1CSI | 0.7 | ![]() |
MCD![]() | METHYLMALONYL(CARBADETHIA)-COENZYME A | A,B,C,D | 5REQ | 0.7 | ![]() |
YLY![]() | (2R)-2-AMINO-6-({[(2S,3R)-3-METHYLPYRROLIDIN- 2-YL]CARBONYL}AMINO)HEXANOYL [(2S,3R,4R,5R)- 5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN- 2-YL]METHYL HYDROGEN (R)-PHOSPHATE | A | 2ZIM | 0.71 | ![]() |
YLY![]() | (2R)-2-AMINO-6-({[(2S,3R)-3-METHYLPYRROLIDIN- 2-YL]CARBONYL}AMINO)HEXANOYL [(2S,3R,4R,5R)- 5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN- 2-YL]METHYL HYDROGEN (R)-PHOSPHATE | A | 2Q7H | 0.71 | ![]() |
PA7![]() | N-PROPYL CARBOXYAMIDO ADENOSINE | A | 1U0Y | 0.74 | ![]() |
PA7![]() | N-PROPYL CARBOXYAMIDO ADENOSINE | A,B | 2GQP | 0.74 | ![]() |
IHE![]() | 6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN- 1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE | A | 1U9V | 0.73 | ![]() |
C8M![]() | 3-[{[(2R,3S,4R,5R)-5-(6-amino-8- methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran- 2-yl]methyl}(methyl)amino]propanamide | A,B | 3DZ4 | 0.74 | ![]() |
ILA![]() | N-[ISOLEUCINYL]-N'-[ADENOSYL]-DIAMINOSUFONE | A | 1JZQ | 0.74 | ![]() |
54H![]() | 5'-O-(D-valylsulfamoyl)adenosine | A,B | 3COZ | 0.72 | ![]() |
N5O![]() | A,B | 2HG1 | 0.73 | ![]() | |
P5A![]() | '5'-O-(N-(L-PROLYL)-SULFAMOYL)ADENOSINE | A | 1NJ5 | 0.7 | ![]() |
P5A![]() | '5'-O-(N-(L-PROLYL)-SULFAMOYL)ADENOSINE | A,B | 2J3L | 0.7 | ![]() |
ARX![]() | (2S,3S,4R,5R)-5-(6-amino-9H-purin- 9-yl)-N-(6-{[(1R)-4-carbamimidamido- 1-{[(1R)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}butyl]amino}- 6-oxohexyl)-3,4-dihydroxytetrahydrofuran- 2-carboxamide | A | 3BWJ | 0.72 | ![]() |
AMX![]() | AMIDOCARBOXYMETHYLDETHIA COENZYME *A | A | 1CSH | 0.71 | ![]() |
APN![]() | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE | A,B,C,D,E,F, G,H | 1QPY | 0.72 | ![]() |
APN![]() | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE | A,B | 1RRU | 0.72 | ![]() |
APN![]() | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE | B | 1PDT | 0.72 | ![]() |
APN![]() | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE | A,B | 1PUP | 0.72 | ![]() |
APN![]() | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE | B | 1NR8 | 0.72 | ![]() |
APN![]() | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE | A,B | 1XJ9 | 0.72 | ![]() |
APN![]() | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE | A | 176D | 0.72 | ![]() |
APN![]() | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE | A,B,C,D | 1HZS | 0.72 | ![]() |
APN![]() | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE | A,B | 2K4G | 0.72 | ![]() |
VMS![]() | 5'O-[N-(L-VALYL)SULPHAMOYL]ADENOSINE | B | 1WK8 | 0.72 | ![]() |
M02![]() | 1-(9H-purin-6-yl)piperidin-4-amine | A | 2VNY | 0.7 | ![]() |
A3S![]() | SERINE-3'-AMINOADENOSINE | A | 2HL0 | 0.72 | ![]() |
A3S![]() | SERINE-3'-AMINOADENOSINE | A,B | 2HL1 | 0.72 | ![]() |
A3S![]() | SERINE-3'-AMINOADENOSINE | A | 1TKY | 0.72 | ![]() |
M01![]() | 1-[1-(9H-purin-6-yl)piperidin-4- yl]methanamine | A | 2VNW | 0.73 | ![]() |
N5A![]() | A,B | 2HCH | 0.73 | ![]() | |
SAI![]() | S-ADENOSYL-L-HOMOSELENOCYSTEINE | A,B | 2AVN | 0.71 | ![]() |
SAI![]() | S-ADENOSYL-L-HOMOSELENOCYSTEINE | A | 1XTP | 0.71 | ![]() |
SAI![]() | S-ADENOSYL-L-HOMOSELENOCYSTEINE | A,B | 1IM8 | 0.71 | ![]() |
AYB![]() | 5'-O-[(S)-({(2S)-2-amino-6-[(propoxycarbonyl)amino]hexanoyl}oxy)(hydroxy)phosphoryl]adenosine | A | 2ZIO | 0.7 | ![]() |
DCA![]() | DESULFO-COENZYME A | A | 2XAT | 0.72 | ![]() |
DCA![]() | DESULFO-COENZYME A | A,C | 1E1C | 0.72 | ![]() |
DCA![]() | DESULFO-COENZYME A | A,B | 2OI7 | 0.72 | ![]() |
DCA![]() | DESULFO-COENZYME A | A,B,C,D | 1REQ | 0.72 | ![]() |
NEC![]() | A | 1QY5 | 0.74 | ![]() | |
NEC![]() | A | 1YSZ | 0.74 | ![]() | |
NEC![]() | A,B | 1U2O | 0.74 | ![]() | |
NEI![]() | (2S,3S,4R,5R)-5-(6-AMINO-2-IODO- 9H-PURIN-9-YL)-N-ETHYL-3,4-DIHYDROXYTETRAHYDROFURAN- 2-CARBOXAMIDE | A,B | 2H8M | 0.72 | ![]() |
FAM![]() | ALPHA-FLUORO-AMIDOCARBOXYMETHYLDETHIA COENZYME A COMPLEX | A | 1CSR | 0.7 | ![]() |
A66![]() | 2-AMINOETHYLLYSINE-CARBONYLMETHYLENE- ADENINE | B | 1NR8 | 0.73 | ![]() |
53H![]() | 5'-O-[(3-methyl-D-valyl)sulfamoyl]adenosine | A,B | 3COY | 0.72 | ![]() |