Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02404296
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 |
CP9 | 3-[4-(2-METHYL-IMIDAZO[4,5-C]PYRIDIN- 1-YL)BENZYL]-3H-BENZOTHIAZOL-2- ONE | A | 1TV6 | 0.7 | |
ABS | (S)-(N-PHENYL-2-HYDROXY-ETHYL)- 2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE | A | 1K5F | 0.71 | |
AD3 | 3-DEAZA-ADENOSINE | A,B | 1KIE | 0.76 | |
AD3 | 3-DEAZA-ADENOSINE | A,B,C,D | 2ZIZ | 0.76 | |
AD3 | 3-DEAZA-ADENOSINE | A,B | 1R4F | 0.76 | |
AD3 | 3-DEAZA-ADENOSINE | A,B | 1HP0 | 0.76 | |
COT | COA-S-ACETYL TRYPTAMINE | A | 1KUY | 0.74 | |
COT | COA-S-ACETYL TRYPTAMINE | E,F,G,H | 1IB1 | 0.74 | |
COT | COA-S-ACETYL TRYPTAMINE | A | 1CJW | 0.74 | |
COT | COA-S-ACETYL TRYPTAMINE | A | 1L0C | 0.74 | |
5ID | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO- 7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)- 5-(HYDROXYMETHYL)TETRAHYDROFURAN- 3,4-DIOL | A,B | 2ZOQ | 0.73 | |
5ID | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO- 7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)- 5-(HYDROXYMETHYL)TETRAHYDROFURAN- 3,4-DIOL | A | 2VUW | 0.73 | |
5ID | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO- 7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)- 5-(HYDROXYMETHYL)TETRAHYDROFURAN- 3,4-DIOL | A,B,C,D | 2C47 | 0.73 | |
3BK | (2R,3R,4S,5R)-2-[6-amino-8-[(3,4- dichlorophenyl)methylamino]purin- 9-yl]-5-(hydroxymethyl)oxolane- 3,4-diol | A | 3FZK | 0.73 | |
1DA | 1-DEAZA-ADENOSINE | A | 1ADD | 0.76 | |
3AA | 3-AMINOPYRIDINE-ADENINE DINUCLEOTIDE PHOSPHATE | A,B,E,F | 1F6M | 0.74 | |
A3D | 3-ACETYLPYRIDINE ADENINE DINUCLEOTIDE | A,B,C,D | 1PZG | 0.72 | |
A3D | 3-ACETYLPYRIDINE ADENINE DINUCLEOTIDE | A | 1DRV | 0.72 | |
A3D | 3-ACETYLPYRIDINE ADENINE DINUCLEOTIDE | A,B | 2EWD | 0.72 | |
A3D | 3-ACETYLPYRIDINE ADENINE DINUCLEOTIDE | A,B,C,D | 1PZF | 0.72 | |
BIG | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2- d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin- 3-ol | A,C | 3DP9 | 0.71 | |
1RB | 1-ALPHA-D-RIBOFURANOSYL-BENZIMIAZOLE- 5'-PHOSPHATE | A | 1L5K | 0.71 | |
CNA | CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE | A,B | 1SZC | 0.7 | |
CNA | CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE | A | 1A26 | 0.7 | |
CNA | CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE | A,B | 2OD2 | 0.7 | |
8PA | 3-[(4-amino-2-methylpyrimidin-5- yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)- 2-[(1S,2E)-1-hydroxy-3-pyridin- 3-ylprop-2-en-1-yl]-4-methyl-1,3- thiazol-3-ium | X | 3F6E | 0.73 | |
8PA | 3-[(4-amino-2-methylpyrimidin-5- yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)- 2-[(1S,2E)-1-hydroxy-3-pyridin- 3-ylprop-2-en-1-yl]-4-methyl-1,3- thiazol-3-ium | X | 3F6B | 0.73 | |
ABR | (R)-(N-PHENYL-2-HYDROXY-ETHYL)- 2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE | A | 1K5E | 0.71 | |
CA3 | COA-S-TRIMETHYLENE-ACETYL-TRYPTAMINE | A | 1KUX | 0.74 | |
CA5 | COA-S-ACETYL 5-BROMOTRYPTAMINE | A | 1KUV | 0.71 | |
8ID | NICOTINAMIDE-8-IODO-ADENINE-DINUCLEOTIDE | A,B,C,D | 2HCY | 0.7 | |
7DA | 7-DEAZA-2'-DEOXYADENOSINE-5'-MONOPHOSPHATE | B | 1U1K | 0.74 | |
3GO | 4-[[(2R,3S,4R,5R)-5-[6-amino-8- (quinolin-6-ylmethylamino)purin- 9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile | A | 3FZM | 0.72 | |
5I5 | 7-(5-DEOXY-BETA-D-RIBOFURANOSYL)- 5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN- 4-AMINE | A,B,C,D | 2I6A | 0.7 |