Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03076719
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 |
AAT | S-ADENOSYL-1,8-DIAMINO-3-THIOOCTANE | A,C,D | 1JQ3 | 0.72 | |
AAT | S-ADENOSYL-1,8-DIAMINO-3-THIOOCTANE | A,B,C | 2I7C | 0.72 | |
5AD | 5'-DEOXYADENOSINE | A,B,C,D | 1I9C | 0.73 | |
5AD | 5'-DEOXYADENOSINE | B | 1XRS | 0.73 | |
5AD | 5'-DEOXYADENOSINE | A,B,C | 2CC2 | 0.73 | |
5AD | 5'-DEOXYADENOSINE | A,B | 2FB3 | 0.73 | |
5AD | 5'-DEOXYADENOSINE | A | 3CI3 | 0.73 | |
5AD | 5'-DEOXYADENOSINE | A,B,C,D | 4REQ | 0.73 | |
XAR | [(1R,4S,6S)-4-(6-AMINO-9H-PURIN- 9-YL)-6-HYDROXYCYCLOHEX-2-EN-1- YL]METHYL DIHYDROGEN PHOSPHATE | A,B | 2P8D | 0.74 | |
IMO | 6-O-PHOSPHORYL INOSINE MONOPHOSPHATE | A | 1CG1 | 0.71 | |
IMO | 6-O-PHOSPHORYL INOSINE MONOPHOSPHATE | A | 1CG4 | 0.71 | |
IMO | 6-O-PHOSPHORYL INOSINE MONOPHOSPHATE | A | 1CG3 | 0.71 | |
IMO | 6-O-PHOSPHORYL INOSINE MONOPHOSPHATE | A | 1LON | 0.71 | |
IMO | 6-O-PHOSPHORYL INOSINE MONOPHOSPHATE | A,B | 1LNY | 0.71 | |
IMO | 6-O-PHOSPHORYL INOSINE MONOPHOSPHATE | A | 1CG0 | 0.71 | |
IMO | 6-O-PHOSPHORYL INOSINE MONOPHOSPHATE | A | 1P9B | 0.71 | |
UN4 | 5-{[(2-AMINO-9H-PURIN-6-YL)OXY]METHYL}- 2-PYRROLIDINONE | A | 1H0V | 0.74 | |
BZG | 6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO- BETA-D-ERYTHRO-PENTOFURANOSYL)- 9H-PURIN-2-AMINE | A,P,T | 2JEF | 0.74 | |
BZG | 6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO- BETA-D-ERYTHRO-PENTOFURANOSYL)- 9H-PURIN-2-AMINE | A,P,T | 2JEG | 0.74 | |
BZG | 6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO- BETA-D-ERYTHRO-PENTOFURANOSYL)- 9H-PURIN-2-AMINE | A,T | 2JEI | 0.74 | |
BZG | 6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO- BETA-D-ERYTHRO-PENTOFURANOSYL)- 9H-PURIN-2-AMINE | A,P,T | 2JEJ | 0.74 | |
DOI | 9-(2-DEOXY-5-O-PHOSPHONO-BETA-D- ERYTHRO-PENTOFURANOSYL)-6-(PHOSPHONOOXY)- 9H-PURINE | A | 2DGN | 0.71 | |
DOI | 9-(2-DEOXY-5-O-PHOSPHONO-BETA-D- ERYTHRO-PENTOFURANOSYL)-6-(PHOSPHONOOXY)- 9H-PURINE | A | 2GCQ | 0.71 | |
M8M | 5'-{[2-(aminooxy)ethyl](methyl)amino}- 5'-deoxy-8-methyladenosine | A,B | 3DZ5 | 0.72 | |
R6C | (2R)-2-{[6-(BENZYLOXY)-9-ISOPROPYL- 9H-PURIN-2-YL]AMINO}BUTAN-1-OL | A | 1YHJ | 0.79 | |
ADC | (1'R,2'S)-9-(2-HYDROXY-3'-KETO- CYCLOPENTEN-1-YL)ADENINE | A,B | 1A7A | 0.78 | |
CMG | 6-O-CYCLOHEXYLMETHYL GUANINE | A,C | 1H1P | 0.77 | |
CMG | 6-O-CYCLOHEXYLMETHYL GUANINE | A | 1E1V | 0.77 | |
RGT | 2-amino-9-{5-O-[(R)-hydroxy{[(R)- hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]- beta-D-ribofuranosyl}-9H-purin- 6-yl 5-O-phosphono-beta-D-ribofuranoside | A,B | 3DZI | 0.73 | |
2AD | 2'-AMINO-2'-DEOXYADENOSINE | A,D | 2BTE | 0.7 | |
2AD | 2'-AMINO-2'-DEOXYADENOSINE | A,B | 2H0X | 0.7 | |
2AD | 2'-AMINO-2'-DEOXYADENOSINE | A,B | 2GCS | 0.7 | |
2AD | 2'-AMINO-2'-DEOXYADENOSINE | A | 1OBC | 0.7 | |
MAO | A | 1I72 | 0.72 | ||
M8E | 5'-{[4-(aminooxy)butyl](methyl)amino}- 5'-deoxy-8-ethenyladenosine | A,B | 3DZ6 | 0.73 | |
G36 | O6-ETHYL-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE | A,B | 1D85 | 0.8 | |
G36 | O6-ETHYL-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE | A,B | 130D | 0.8 | |
G36 | O6-ETHYL-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE | A,B | 144D | 0.8 | |
G36 | O6-ETHYL-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE | A,B | 128D | 0.8 | |
6OG | A,B,C,D,E,F | 2HHW | 0.79 | ||
6OG | A,B,C,D,E,F | 2HVH | 0.79 | ||
6OG | A,B | 1D24 | 0.79 | ||
6OG | A,T | 2J6S | 0.79 | ||
6OG | A,C | 2HW3 | 0.79 | ||
6OG | A,T | 2J6T | 0.79 | ||
6OG | A,P,T | 2J6U | 0.79 | ||
6OG | A,C | 2HHT | 0.79 | ||
6OG | A,B | 218D | 0.79 | ||
6OG | A,C | 2HHX | 0.79 | ||
6OG | A,B | 2HHQ | 0.79 | ||
6OG | A,C | 2HHV | 0.79 | ||
6OG | A,B,E | 2O8C | 0.79 | ||
6OG | A,B | 153D | 0.79 | ||
6OG | B | 1T38 | 0.79 | ||
6OG | A,B | 2HHS | 0.79 | ||
6OG | A,C | 2HHU | 0.79 | ||
6OG | A,B | 1D27 | 0.79 | ||
6GO | 6-O-methylguanine | A | 3FO6 | 0.71 | |
6GO | 6-O-methylguanine | A | 3GES | 0.71 | |
MBP | 1-[(2-AMINO-6,9-DIHYDRO-1H-PURIN- 6-YL)OXY]-3-METHYL-2-BUTANOL | A | 1GZ8 | 0.75 | |
N20 | 6-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYANILINO)PURINE | A,B,C,D | 1OI9 | 0.7 | |
N69 | 6-(CYCLOHEXYLMETHOXY)-8-ISOPROPYL- 9H-PURIN-2-AMINE | A | 1W8C | 0.74 | |
XAL | [(1S,4R,6R)-6-HYDROXY-4-(ADENIN- 9-YL)CYCLOHEX-2-EN-1-YL]METHYL DIHYDROGEN PHOSPHATE | A,B | 2H0N | 0.74 | |
N8M | 5'-deoxy-5'-(dimethylamino)-8-methyladenosine | A,B | 3H0W | 0.72 | |
GMC | (2R,3R,4S,5S)-4-AMINO-2-[6-(DIMETHYLAMINO)- 9H-PURIN-9-YL]-5-(HYDROXYMETHYL)TETRAHYDRO- 3-FURANOL | A | 1GPJ | 0.72 | |
A8M | 5'-[(3-aminopropyl)(methyl)amino]- 5'-deoxy-8-methyladenosine | A,B | 3DZ2 | 0.72 | |
CC5 | BETA-D-ERYTHROFURANOSYL-ADENOSINE | A | 2I2B | 0.71 | |
CC5 | BETA-D-ERYTHROFURANOSYL-ADENOSINE | A,B,C | 2CBX | 0.71 | |
NOS | INOSINE | A,B,C | 1PR0 | 0.72 | |
NOS | INOSINE | A,B | 1KIC | 0.72 | |
NOS | INOSINE | A,B,C,D | 3B9X | 0.72 | |
NOS | INOSINE | E | 1RCT | 0.72 | |
NOS | INOSINE | A | 2FQW | 0.72 | |
NOS | INOSINE | A | 1Z38 | 0.72 | |
NOS | INOSINE | A | 1A9S | 0.72 | |
NOS | INOSINE | A | 2BSX | 0.72 | |
G93 | 4-{2-(4-amino-2,5-dihydro-1,2,5- oxadiazol-3-yl)-1-ethyl-7-[(3S)- piperidin-3-ylmethoxy]-1H-imidazo[4,5- c]pyridin-4-yl}-2-methylbut-3-en- 2-ol | A,B | 3D0E | 0.71 | |
PG7 | ((2R,3R,5R)-5-(2-AMINO-6-HYDROXY- 9H-PURIN-9-YL)-3-HYDROXY-TETRAHYDROFURAN- 2-YL)METHYL DIHYDROGEN PHOSPHATE | A,B | 1R4D | 0.71 | |
PG7 | ((2R,3R,5R)-5-(2-AMINO-6-HYDROXY- 9H-PURIN-9-YL)-3-HYDROXY-TETRAHYDROFURAN- 2-YL)METHYL DIHYDROGEN PHOSPHATE | A | 2JAO | 0.71 | |
PG7 | ((2R,3R,5R)-5-(2-AMINO-6-HYDROXY- 9H-PURIN-9-YL)-3-HYDROXY-TETRAHYDROFURAN- 2-YL)METHYL DIHYDROGEN PHOSPHATE | B | 1S9O | 0.71 | |
2A6 | 2-ANILINO-6-CYCLOHEXYLMETHOXYPURINE | A,C | 1H1Q | 0.71 |