Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03407430
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 |
301 | N6-(penta-2,3-dienyl)adenine | A | 3BW7 | 0.78 | |
M1A | 6-AMINO-1-METHYLPURINE | A | 1B42 | 0.72 | |
3MA | 6-AMINO-3-METHYLPURINE | A | 3MAG | 0.72 | |
XAL | [(1S,4R,6R)-6-HYDROXY-4-(ADENIN- 9-YL)CYCLOHEX-2-EN-1-YL]METHYL DIHYDROGEN PHOSPHATE | A,B | 2H0N | 0.71 | |
M2T | 5'-deoxy-5'-(dimethyl-lambda~4~- sulfanyl)adenosine | A,B | 3H0V | 0.72 | |
HA8 | N6-(buta-2,3-dienyl)adenine | A | 3C0P | 0.75 | |
ADZ | 9-METHYL-9H-PURIN-6-AMINE | A | 1O9U | 0.74 | |
S4M | 5'-[(S)-(3-AMINOPROPYL)(METHYL)- LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE | A | 2O0L | 0.72 | |
S4M | 5'-[(S)-(3-AMINOPROPYL)(METHYL)- LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE | A,B,C | 2PT6 | 0.72 | |
S4M | 5'-[(S)-(3-AMINOPROPYL)(METHYL)- LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE | A,B,C | 2PT9 | 0.72 | |
AAD | (2-AMINOOXY-ETHYL)-[5-(6-AMINO- PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDRO- FURAN-2-YLMETHYL]-METHYL-SULFONIUM | A | 1M4N | 0.72 | |
39A | 6-AMINO-3,9-DIMETHYL-9H-PURIN-3- IUM | A,B | 1PU7 | 0.75 | |
MTA | 5'-DEOXY-5'-METHYLTHIOADENOSINE | A,B | 1Z5O | 0.72 | |
MTA | 5'-DEOXY-5'-METHYLTHIOADENOSINE | A,B,C | 3B7P | 0.72 | |
MTA | 5'-DEOXY-5'-METHYLTHIOADENOSINE | A,B,C,D | 3C6M | 0.72 | |
MTA | 5'-DEOXY-5'-METHYLTHIOADENOSINE | A | 3FUW | 0.72 | |
MTA | 5'-DEOXY-5'-METHYLTHIOADENOSINE | A,B,C | 3FUX | 0.72 | |
MTA | 5'-DEOXY-5'-METHYLTHIOADENOSINE | A,B,C | 2HTE | 0.72 | |
MTA | 5'-DEOXY-5'-METHYLTHIOADENOSINE | A,B,C | 1JDT | 0.72 | |
MTA | 5'-DEOXY-5'-METHYLTHIOADENOSINE | A | 1CG6 | 0.72 | |
MTA | 5'-DEOXY-5'-METHYLTHIOADENOSINE | A,B | 2O06 | 0.72 | |
MTA | 5'-DEOXY-5'-METHYLTHIOADENOSINE | A | 2IPX | 0.72 | |
MTA | 5'-DEOXY-5'-METHYLTHIOADENOSINE | A,B,C,D | 2E5W | 0.72 | |
MTA | 5'-DEOXY-5'-METHYLTHIOADENOSINE | A,B | 2YY8 | 0.72 | |
MTA | 5'-DEOXY-5'-METHYLTHIOADENOSINE | A,B,C,D,E,F, G,H,I,J,K,L | 2A8Y | 0.72 | |
MTA | 5'-DEOXY-5'-METHYLTHIOADENOSINE | A | 1EG2 | 0.72 | |
MTA | 5'-DEOXY-5'-METHYLTHIOADENOSINE | A,B,C,D | 3C6K | 0.72 | |
MTA | 5'-DEOXY-5'-METHYLTHIOADENOSINE | A,B | 2O07 | 0.72 | |
MTA | 5'-DEOXY-5'-METHYLTHIOADENOSINE | A,B | 2O05 | 0.72 | |
IHE | 6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN- 1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE | A | 1U9V | 0.73 | |
L21 | 3-(3-methylbut-2-en-1-yl)-3H-purin- 6-amine | A,B | 2W6Z | 0.77 | |
NEA | 5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINE | A,B,C,D,E,F | 2NP6 | 0.71 | |
NEA | 5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINE | A,C | 2IH5 | 0.71 | |
NEA | 5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINE | A,C,D,F | 2IH2 | 0.71 | |
NEA | 5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINE | A,B,C,D,E,F | 2IBS | 0.71 | |
NEA | 5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINE | A,C,D,F | 1G38 | 0.71 | |
NEA | 5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINE | A,B,C | 2NP7 | 0.71 | |
NEA | 5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINE | A,C,D,F | 2IH4 | 0.71 | |
NEA | 5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINE | A,B,C,D,E,F | 2IBT | 0.71 | |
S4A | A,B | 2RMQ | 0.71 | ||
3D3 | 2-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDE | A | 2CGX | 0.7 | |
6MP | 6-METHYLPURINE | A,B,C | 1OU4 | 0.7 | |
6MP | 6-METHYLPURINE | A,B,C | 1OTY | 0.7 | |
6MP | 6-METHYLPURINE | A | 2PUA | 0.7 | |
M02 | 1-(9H-purin-6-yl)piperidin-4-amine | A | 2VNY | 0.73 | |
ZIP | N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN- 6-AMINE | A | 1W1Q | 0.76 | |
ZIP | N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN- 6-AMINE | A | 2EXM | 0.76 | |
AAT | S-ADENOSYL-1,8-DIAMINO-3-THIOOCTANE | A,C,D | 1JQ3 | 0.76 | |
AAT | S-ADENOSYL-1,8-DIAMINO-3-THIOOCTANE | A,B,C | 2I7C | 0.76 | |
ARP | 9-HYDROXYPROPYLADENINE, R-ISOMER | A,B | 1E2I | 0.71 | |
M01 | 1-[1-(9H-purin-6-yl)piperidin-4- yl]methanamine | A | 2VNW | 0.73 | |
APS | 9-HYDROXYPROPYLADENINE, S-ISOMER | A,B | 1E2I | 0.71 | |
XAR | [(1R,4S,6S)-4-(6-AMINO-9H-PURIN- 9-YL)-6-HYDROXYCYCLOHEX-2-EN-1- YL]METHYL DIHYDROGEN PHOSPHATE | A,B | 2P8D | 0.71 | |
ADC | (1'R,2'S)-9-(2-HYDROXY-3'-KETO- CYCLOPENTEN-1-YL)ADENINE | A,B | 1A7A | 0.76 | |
3DH | 5'-S-ethyl-5'-thioadenosine | A,B,C,D | 3DHY | 0.73 |