Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02407173
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 |
FA5 | ADENOSINE-5'-[PHENYLALANINYL-PHOSPHATE] | A | 3CMQ | 0.76 | |
FA5 | ADENOSINE-5'-[PHENYLALANINYL-PHOSPHATE] | A,B | 1JJC | 0.76 | |
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 | |
S11 | 5-(3,5-DICHLOROPHENYL)THIO-4-ISOPROPYL- 1-(PYRIDIN-4-YL-METHYL)-1H-IMIDAZOL- 2-YL-METHYL CARBAMATE | A | 1EP4 | 0.73 | |
BZG | 6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO- BETA-D-ERYTHRO-PENTOFURANOSYL)- 9H-PURIN-2-AMINE | A,P,T | 2JEF | 0.73 | |
BZG | 6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO- BETA-D-ERYTHRO-PENTOFURANOSYL)- 9H-PURIN-2-AMINE | A,P,T | 2JEG | 0.73 | |
BZG | 6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO- BETA-D-ERYTHRO-PENTOFURANOSYL)- 9H-PURIN-2-AMINE | A,T | 2JEI | 0.73 | |
BZG | 6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO- BETA-D-ERYTHRO-PENTOFURANOSYL)- 9H-PURIN-2-AMINE | A,P,T | 2JEJ | 0.73 | |
ABR | (R)-(N-PHENYL-2-HYDROXY-ETHYL)- 2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE | A | 1K5E | 0.77 | |
RFZ | 5,6-dichloro-1-beta-D-ribofuranosyl- 1H-benzimidazole | A,B | 3H30 | 0.73 | |
4CA | 4-HYDROXYBENZYL COENZYME A | A | 1LO8 | 0.73 | |
4CA | 4-HYDROXYBENZYL COENZYME A | A | 1Q4U | 0.73 | |
DBI | PHOSPHORIC ACID MONO-[5-(5,6-DIMETHYL- BENZOIMIDAZOL-1-YL)-4-HYDROXY-2- HYDROXYMETHYL-TETRAHYDRO-FURAN- 3-YL] ESTER | A | 1ID8 | 0.7 | |
IDD | (5R,6R,7S,8S)-5-(HYDROXYMETHYL)- 2-PHENYL-5,6,7,8-TETRAHYDROIMIDAZO[1,2- A]PYRIDINE-6,7,8-TRIOL | A | 1X38 | 0.7 | |
IDD | (5R,6R,7S,8S)-5-(HYDROXYMETHYL)- 2-PHENYL-5,6,7,8-TETRAHYDROIMIDAZO[1,2- A]PYRIDINE-6,7,8-TRIOL | A | 1LQ2 | 0.7 | |
MBZ | 1-[2-DEOXYRIBOFURANOSYL]-4-METHYL- BENZOIMIDAZOLE-5'-MONOPHOSPHATE | 1,2 | 1EEK | 0.7 | |
DF9 | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2- d]pyrimidin-7-yl)methyl]-4-[(benzylsulfanyl)methyl]pyrrolidin- 3-ol | A,B | 3DF9 | 0.74 | |
AP9 | (2S)-2-({6-[(3-AMINO-5-CHLOROPHENYL)AMINO]- 9-ISOPROPYL-9H-PURIN-2-YL}AMINO)- 3-METHYLBUTAN-1-OL | B | 2F2C | 0.71 | |
01A | 4-Chlorophenacyl-coenzyme A | A,B | 3CW9 | 0.79 | |
YMP | O-(ADENOSINE-5'-O-YL)-N-(L-TYROSYL)PHOSPHORAMIDATE | X,Y | 2DLC | 0.71 | |
RFC | (R)-IBUPROFENOYL-COENZYME A | A,B,C,D | 2GCE | 0.74 | |
TAP | 7-THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | A | 1DR2 | 0.74 | |
TAP | 7-THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | A | 1DR3 | 0.74 | |
TAP | 7-THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | A,B | 1PT9 | 0.74 | |
TYA | A | 3TS1 | 0.74 | ||
I24 | 2-butoxy-9-(2,6-difluorobenzyl)- N-(2-morpholin-4-ylethyl)-9H-purin- 6-amine | A,B | 2VVT | 0.7 | |
BCA | 4-HYDROXYBENZOYL COENZYME A | A,B,C | 1NZY | 0.7 | |
BCA | 4-HYDROXYBENZOYL COENZYME A | A,B,C | 1JXZ | 0.7 | |
BCA | 4-HYDROXYBENZOYL COENZYME A | A | 1LO9 | 0.7 | |
MTP | 2-HYDROXYMETHYL-5-(6-METHYLSULFANYL- PURIN-9-YL)-TETRAHYDRO-FURAN-3,4- DIOL | A,B,C | 1PR4 | 0.71 | |
MTP | 2-HYDROXYMETHYL-5-(6-METHYLSULFANYL- PURIN-9-YL)-TETRAHYDRO-FURAN-3,4- DIOL | A | 2AB8 | 0.71 | |
MTP | 2-HYDROXYMETHYL-5-(6-METHYLSULFANYL- PURIN-9-YL)-TETRAHYDRO-FURAN-3,4- DIOL | A | 2AA0 | 0.71 | |
SFC | (S)-IBUPROFENOYL-COENZYME A | A,B,C,D | 2GCE | 0.74 | |
RMC | (2R)-2-({6-[BENZYL(METHYL)AMINO]- 9-ISOPROPYL-9H-PURIN-2-YL}AMINO)BUTAN- 1-OL | A | 1YGJ | 0.73 | |
PUY | PUROMYCIN | A,B | 2DPT | 0.7 | |
PUY | PUROMYCIN | 1,2,4,5,A,B, C,D,E,J,K,L, M,N,O,P,R,S, T,U,V,Z | 1Q7Y | 0.7 | |
P01 | 2-({6-[(3-CHLOROPHENYL)AMINO]-9- ISOPROPYL-9H-PURIN-2-YL}AMINO)- 3-METHYLBUTAN-1-OL | A | 2IZU | 0.72 | |
P01 | 2-({6-[(3-CHLOROPHENYL)AMINO]-9- ISOPROPYL-9H-PURIN-2-YL}AMINO)- 3-METHYLBUTAN-1-OL | A,B | 1YOM | 0.72 | |
P01 | 2-({6-[(3-CHLOROPHENYL)AMINO]-9- ISOPROPYL-9H-PURIN-2-YL}AMINO)- 3-METHYLBUTAN-1-OL | A | 2Z7S | 0.72 | |
YSA | 5'-O-[N-(L-TYROSYL)SULFAMOYL]ADENOSINE | A,B | 2ALY | 0.72 | |
YSA | 5'-O-[N-(L-TYROSYL)SULFAMOYL]ADENOSINE | A,B | 1VBM | 0.72 | |
YSA | 5'-O-[N-(L-TYROSYL)SULFAMOYL]ADENOSINE | A,B | 1VBN | 0.72 | |
YSA | 5'-O-[N-(L-TYROSYL)SULFAMOYL]ADENOSINE | A,B | 2PID | 0.72 | |
OLO | OLOMOUCINE | A | 4ERK | 0.71 | |
OLO | OLOMOUCINE | C | 1W0X | 0.71 | |
00A | 5'-O-[(S)-{[(4-chlorophenyl)carbonyl]oxy}(hydroxy)phosphoryl]adenosine | X | 3CW8 | 0.78 | |
RBZ | ALPHA-RIBAZOLE-5'-PHOSPHATE | A | 1D0V | 0.7 | |
RBZ | ALPHA-RIBAZOLE-5'-PHOSPHATE | A | 1L4E | 0.7 | |
SND | THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE | A,B,C,D | 1IHX | 0.74 | |
SND | THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE | A,B,C | 1PTJ | 0.74 | |
ANZ | A | 2V0C | 0.74 | ||
ANZ | A,B,D,F | 2V0G | 0.74 | ||
3AA | 3-AMINOPYRIDINE-ADENINE DINUCLEOTIDE PHOSPHATE | A,B,E,F | 1F6M | 0.71 | |
ABS | (S)-(N-PHENYL-2-HYDROXY-ETHYL)- 2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE | A | 1K5F | 0.77 | |
DZD | 5'-O-[(R)-{[(R)-{[(3R,4R)-1-(3- carbamoylbenzyl)-4-hydroxypyrrolidin- 3-yl]methoxy}(hydroxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine | A,D | 3D4B | 0.73 | |
NDA | 3-AMINOMETHYL-PYRIDINIUM-ADENINE- DINUCLEOTIDE | A,B,C,D | 1EBU | 0.73 | |
XAE | 3-(2-DEOXY-5-O-PHOSPHONO-BETA-D- ERYTHRO-PENTOFURANOSYL)-3H-IMIDAZO[4,5- G]QUINAZOLIN-8-AMINE | A,B | 2ICZ | 0.72 | |
3FD | 4-[[(2R,3S,4R,5R)-5-[6-amino-8- [(3,4-dichlorophenyl)methylamino]purin- 9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile | A | 3FZL | 0.79 | |
NBS | A | 1KSW | 0.8 | ||
RMB | N1-(5'-PHOSPHO-ALPHA-RIBOSYL)-5- METHYLBENZIMIDAZOLE | A | 1JHO | 0.72 | |
AD3 | 3-DEAZA-ADENOSINE | A,B | 1KIE | 0.73 | |
AD3 | 3-DEAZA-ADENOSINE | A,B,C,D | 2ZIZ | 0.73 | |
AD3 | 3-DEAZA-ADENOSINE | A,B | 1R4F | 0.73 | |
AD3 | 3-DEAZA-ADENOSINE | A,B | 1HP0 | 0.73 | |
DAK | 4-(N,N-DIMETHYLAMINO)CINNAMOYL- COA | A,B,C,D,E,F | 1EY3 | 0.74 | |
FYA | ADENOSINE-5'-[PHENYLALANINOL-PHOSPHATE] | A,B | 2IY5 | 0.8 | |
FYA | ADENOSINE-5'-[PHENYLALANINOL-PHOSPHATE] | A | 1B7Y | 0.8 | |
3BK | (2R,3R,4S,5R)-2-[6-amino-8-[(3,4- dichlorophenyl)methylamino]purin- 9-yl]-5-(hydroxymethyl)oxolane- 3,4-diol | A | 3FZK | 0.87 | |
RRC | R-ROSCOVITINE | A,B,C,D | 3DDQ | 0.73 | |
RRC | R-ROSCOVITINE | A | 1YGK | 0.73 | |
RRC | R-ROSCOVITINE | A | 1UNL | 0.73 | |
RRC | R-ROSCOVITINE | A | 2A4L | 0.73 | |
ZZB | A | 2WFG | 0.7 | ||
1DA | 1-DEAZA-ADENOSINE | A | 1ADD | 0.73 |