Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01064842
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 |
M01 | 1-[1-(9H-purin-6-yl)piperidin-4- yl]methanamine | A | 2VNW | 0.76 | |
EH9 | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan- 2-ol | A | 2Z7G | 0.72 | |
A66 | 2-AMINOETHYLLYSINE-CARBONYLMETHYLENE- ADENINE | B | 1NR8 | 0.76 | |
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 | |
PA7 | N-PROPYL CARBOXYAMIDO ADENOSINE | A | 1U0Y | 0.72 | |
PA7 | N-PROPYL CARBOXYAMIDO ADENOSINE | A,B | 2GQP | 0.72 | |
53H | 5'-O-[(3-methyl-D-valyl)sulfamoyl]adenosine | A,B | 3COY | 0.71 | |
NEI | (2S,3S,4R,5R)-5-(6-AMINO-2-IODO- 9H-PURIN-9-YL)-N-ETHYL-3,4-DIHYDROXYTETRAHYDROFURAN- 2-CARBOXAMIDE | A,B | 2H8M | 0.71 | |
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 | 0.73 | |
5HG | {[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACID | A,B | 2G1A | 0.72 | |
VAA | N-[VALINYL]-N'-[ADENOSYL]-DIAMINOSUFONE | A,B | 1IVS | 0.74 | |
VAA | N-[VALINYL]-N'-[ADENOSYL]-DIAMINOSUFONE | A,B | 1GAX | 0.74 | |
APS | 9-HYDROXYPROPYLADENINE, S-ISOMER | A,B | 1E2I | 0.72 | |
IHE | 6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN- 1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE | A | 1U9V | 0.75 | |
XX1 | N~6~-7H-PURIN-6-YL-L-LYSINE | A,B,C,D | 2OQF | 0.71 | |
ARP | 9-HYDROXYPROPYLADENINE, R-ISOMER | A,B | 1E2I | 0.72 | |
APN | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE | A,B,C,D,E,F, G,H | 1QPY | 0.76 | |
APN | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE | A,B | 1RRU | 0.76 | |
APN | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE | B | 1PDT | 0.76 | |
APN | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE | A,B | 1PUP | 0.76 | |
APN | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE | B | 1NR8 | 0.76 | |
APN | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE | A,B | 1XJ9 | 0.76 | |
APN | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE | A | 176D | 0.76 | |
APN | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE | A,B,C,D | 1HZS | 0.76 | |
APN | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE | A,B | 2K4G | 0.76 | |
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 | 0.71 | |
SA8 | S-5'-AZAMETHIONINE-5'-DEOXYADENOSINE | A,B,C | 2C4T | 0.72 | |
SA8 | S-5'-AZAMETHIONINE-5'-DEOXYADENOSINE | A | 1Z3C | 0.72 | |
SA8 | S-5'-AZAMETHIONINE-5'-DEOXYADENOSINE | A,B,C | 2H2E | 0.72 | |
54H | 5'-O-(D-valylsulfamoyl)adenosine | A,B | 3COZ | 0.72 | |
PPZ | 2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO- ETHANOL | A,B | 1I5V | 0.8 | |
TNV | [2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL- TRIPHOSPHATE | A,B,P | 1T05 | 0.72 | |
52H | 5'-O-{[(2R)-2-hydroxy-3,3-dimethylbutanoyl]sulfamoyl}adenosine | A,B | 3COW | 0.7 | |
NEC | A | 1QY5 | 0.72 | ||
NEC | A | 1YSZ | 0.72 | ||
NEC | A,B | 1U2O | 0.72 | ||
N5A | A,B | 2HCH | 0.72 | ||
ILA | N-[ISOLEUCINYL]-N'-[ADENOSYL]-DIAMINOSUFONE | A | 1JZQ | 0.75 | |
2VA | 2'-(L-VALYL)AMINO-2'-DEOXYADENOSINE | A | 1WNZ | 0.77 | |
TFO | [2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACID | A,P | 1T03 | 0.72 | |
VMS | 5'O-[N-(L-VALYL)SULPHAMOYL]ADENOSINE | B | 1WK8 | 0.72 | |
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 | |
N8M | 5'-deoxy-5'-(dimethylamino)-8-methyladenosine | A,B | 3H0W | 0.7 | |
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 | |
EMA | (ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL- DIPHOSPHATE | A,B | 1ZOT | 0.71 | |
EMA | (ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL- DIPHOSPHATE | A,B,C,D,E,F | 1PK0 | 0.71 | |
N5O | A,B | 2HG1 | 0.72 | ||
A8M | 5'-[(3-aminopropyl)(methyl)amino]- 5'-deoxy-8-methyladenosine | A,B | 3DZ2 | 0.72 | |
9PP | 2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINE | A,B,C,D,E,F | 1LVU | 0.72 | |
9PP | 2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINE | A,B,C,D,E,F | 1LV8 | 0.72 | |
M02 | 1-(9H-purin-6-yl)piperidin-4-amine | A | 2VNY | 0.72 |