Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02419878
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 |
NDA | 3-AMINOMETHYL-PYRIDINIUM-ADENINE- DINUCLEOTIDE | A,B,C,D | 1EBU | 0.71 |  |
RFC | (R)-IBUPROFENOYL-COENZYME A | A,B,C,D | 2GCE | 0.72 | |
TYA | A | 3TS1 | 0.72 | | |
SFC | (S)-IBUPROFENOYL-COENZYME A | A,B,C,D | 2GCE | 0.72 | |
1DA | 1-DEAZA-ADENOSINE | A | 1ADD | 0.71 | |
FYA | ADENOSINE-5'-[PHENYLALANINOL-PHOSPHATE] | A,B | 2IY5 | 0.78 | |
| FYA | ADENOSINE-5'-[PHENYLALANINOL-PHOSPHATE] | A | 1B7Y | 0.78 | |
RRC | R-ROSCOVITINE | A,B,C,D | 3DDQ | 0.71 | |
| RRC | R-ROSCOVITINE | A | 1YGK | 0.71 | |
| RRC | R-ROSCOVITINE | A | 1UNL | 0.71 | |
| RRC | R-ROSCOVITINE | A | 2A4L | 0.71 | |
GSR | A | 1AF1 | 0.76 | | |
4CA | 4-HYDROXYBENZYL COENZYME A | A | 1LO8 | 0.72 | |
| 4CA | 4-HYDROXYBENZYL COENZYME A | A | 1Q4U | 0.72 | |
ABR | (R)-(N-PHENYL-2-HYDROXY-ETHYL)- 2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE | A | 1K5E | 0.75 | |
SND | THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE | A,B,C,D | 1IHX | 0.71 | |
| SND | THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE | A,B,C | 1PTJ | 0.71 | |
DBI | PHOSPHORIC ACID MONO-[5-(5,6-DIMETHYL- BENZOIMIDAZOL-1-YL)-4-HYDROXY-2- HYDROXYMETHYL-TETRAHYDRO-FURAN- 3-YL] ESTER | A | 1ID8 | 0.73 | |
PGI | (5R,6R,7S,8S)-5-(HYDROXYMETHYL)- 2-(2-PHENYLETHYL)-1,5,6,7,8,8A- HEXAHYDROIMIDAZO[1,2-A]PYRIDINE- 6,7,8-TRIOL | A,B | 2CET | 0.75 | |
| PGI | (5R,6R,7S,8S)-5-(HYDROXYMETHYL)- 2-(2-PHENYLETHYL)-1,5,6,7,8,8A- HEXAHYDROIMIDAZO[1,2-A]PYRIDINE- 6,7,8-TRIOL | A,B | 2CER | 0.75 | |
IDD | (5R,6R,7S,8S)-5-(HYDROXYMETHYL)- 2-PHENYL-5,6,7,8-TETRAHYDROIMIDAZO[1,2- A]PYRIDINE-6,7,8-TRIOL | A | 1X38 | 0.73 | |
| IDD | (5R,6R,7S,8S)-5-(HYDROXYMETHYL)- 2-PHENYL-5,6,7,8-TETRAHYDROIMIDAZO[1,2- A]PYRIDINE-6,7,8-TRIOL | A | 1LQ2 | 0.73 | |
DF9 | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2- d]pyrimidin-7-yl)methyl]-4-[(benzylsulfanyl)methyl]pyrrolidin- 3-ol | A,B | 3DF9 | 0.73 | |
MBZ | 1-[2-DEOXYRIBOFURANOSYL]-4-METHYL- BENZOIMIDAZOLE-5'-MONOPHOSPHATE | 1,2 | 1EEK | 0.73 | |
XAE | 3-(2-DEOXY-5-O-PHOSPHONO-BETA-D- ERYTHRO-PENTOFURANOSYL)-3H-IMIDAZO[4,5- G]QUINAZOLIN-8-AMINE | A,B | 2ICZ | 0.71 | |
N2G | A,P,T | 2W8K | 0.74 | | |
| N2G | A,P,T | 2W8L | 0.74 | | |
DZD | 5'-O-[(R)-{[(R)-{[(3R,4R)-1-(3- carbamoylbenzyl)-4-hydroxypyrrolidin- 3-yl]methoxy}(hydroxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine | A,D | 3D4B | 0.7 | |
CAG | A | 1GNQ | 0.72 | | |
| CAG | A | 1PLJ | 0.72 | | |
| CAG | X | 2EVW | 0.72 | | |
| CAG | A | 1GNR | 0.72 | | |
| CAG | X | 2CL6 | 0.72 | | |
TAP | 7-THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | A | 1DR2 | 0.71 | |
| TAP | 7-THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | A | 1DR3 | 0.71 | |
| TAP | 7-THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | A,B | 1PT9 | 0.71 | |
NBS | A | 1KSW | 0.79 | | |
MGV | P-FLUORO-7-BENZYL GUANINE MONOPHOSPHATE | A,E | 2V8Y | 0.79 | |
RMB | N1-(5'-PHOSPHO-ALPHA-RIBOSYL)-5- METHYLBENZIMIDAZOLE | A | 1JHO | 0.75 | |
MGQ | 7-BENZYL GUANINE MONOPHOSPHATE | A,E | 2V8X | 0.8 | |
8FG | N-(5'-PHOSPHO-2'-DEOXYGUANOSIN- 8-YL)-2-ACETYLAMINOFLUORENE | A,C,D | 1X9M | 0.7 | |
GSS | A | 1AP1 | 0.76 | | |
AD3 | 3-DEAZA-ADENOSINE | A,B | 1KIE | 0.72 | |
| AD3 | 3-DEAZA-ADENOSINE | A,B,C,D | 2ZIZ | 0.72 | |
| AD3 | 3-DEAZA-ADENOSINE | A,B | 1R4F | 0.72 | |
| AD3 | 3-DEAZA-ADENOSINE | A,B | 1HP0 | 0.72 | |
RMC | (2R)-2-({6-[BENZYL(METHYL)AMINO]- 9-ISOPROPYL-9H-PURIN-2-YL}AMINO)BUTAN- 1-OL | A | 1YGJ | 0.71 | |
VGB | (5R,6R,7R,8S)-6,7-dihydroxy-5-(hydroxymethyl)- 2-(2-phenylethyl)-8-(propanoylamino)- 5,6,7,8-tetrahydro-1H-imidazo[1,2- a]pyridin-4-ium | A,B | 2WB5 | 0.72 | |
BZG | 6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO- BETA-D-ERYTHRO-PENTOFURANOSYL)- 9H-PURIN-2-AMINE | A,P,T | 2JEF | 0.71 | |
| BZG | 6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO- BETA-D-ERYTHRO-PENTOFURANOSYL)- 9H-PURIN-2-AMINE | A,P,T | 2JEG | 0.71 | |
| BZG | 6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO- BETA-D-ERYTHRO-PENTOFURANOSYL)- 9H-PURIN-2-AMINE | A,T | 2JEI | 0.71 | |
| BZG | 6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO- BETA-D-ERYTHRO-PENTOFURANOSYL)- 9H-PURIN-2-AMINE | A,P,T | 2JEJ | 0.71 | |
ABS | (S)-(N-PHENYL-2-HYDROXY-ETHYL)- 2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE | A | 1K5F | 0.75 | |
DAK | 4-(N,N-DIMETHYLAMINO)CINNAMOYL- COA | A,B,C,D,E,F | 1EY3 | 0.73 | |
RBZ | ALPHA-RIBAZOLE-5'-PHOSPHATE | A | 1D0V | 0.73 | |
| RBZ | ALPHA-RIBAZOLE-5'-PHOSPHATE | A | 1L4E | 0.73 | |
FA5 | ADENOSINE-5'-[PHENYLALANINYL-PHOSPHATE] | A | 3CMQ | 0.73 | |
| FA5 | ADENOSINE-5'-[PHENYLALANINYL-PHOSPHATE] | A,B | 1JJC | 0.73 | |
1RB | 1-ALPHA-D-RIBOFURANOSYL-BENZIMIAZOLE- 5'-PHOSPHATE | A | 1L5K | 0.72 | |
GSZ | N-[(5R,6R,7R,8S)-6,7-DIHYDROXY- 5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)- 1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2- A]PYRIDIN-8-YL]-2-METHYLPROPANAMIDE | A,B | 2J62 | 0.72 | |
3BK | (2R,3R,4S,5R)-2-[6-amino-8-[(3,4- dichlorophenyl)methylamino]purin- 9-yl]-5-(hydroxymethyl)oxolane- 3,4-diol | A | 3FZK | 0.76 | |
ANZ | A | 2V0C | 0.72 | | |
| ANZ | A,B,D,F | 2V0G | 0.72 | | |
01A | 4-Chlorophenacyl-coenzyme A | A,B | 3CW9 | 0.7 | |