Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02393755
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 |
C1D | 1-(2-{[(6-AMINO-2-METHYLPYRIDIN- 3-YL)METHYL]AMINO}ETHYL)-6-CHLORO- 3-[(2,2-DIFLUORO-2-PYRIDIN-2-YLETHYL)AMINO]- 1,4-DIHYDROPYRAZIN-2-OL | H,I | 2BXU | 0.7 | |
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 | |
1DA | 1-DEAZA-ADENOSINE | A | 1ADD | 0.76 | |
AT2 | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B | 3E7S | 0.73 | |
AT2 | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B | 3E7M | 0.73 | |
AT2 | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B,C,D | 3E7G | 0.73 | |
IDE | (5R,6R,7S,8S)-3-(ANILINOMETHYL)- 5,6,7,8-TETRAHYDRO-5-(HYDROXYMETHYL)- IMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL | A | 1X39 | 0.74 | |
IDE | (5R,6R,7S,8S)-3-(ANILINOMETHYL)- 5,6,7,8-TETRAHYDRO-5-(HYDROXYMETHYL)- IMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL | A,B | 2J7C | 0.74 | |
BYP | (2R)-1-{4-[(4-ANILINO-5-BROMOPYRIMIDIN- 2-YL)AMINO]PHENOXY}-3-(DIMETHYLAMINO)PROPAN- 2-OL | A | 1H08 | 0.71 | |
SND | THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE | A,B,C,D | 1IHX | 0.71 | |
SND | THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE | A,B,C | 1PTJ | 0.71 | |
218 | 1-[(4-AMINO-2-METHYLPYRIMIDIN-5- YL)METHYL]-3-(2-HYDROXYETHYL)-2- METHYLPYRIDINIUM | A | 2HOP | 0.73 | |
3AA | 3-AMINOPYRIDINE-ADENINE DINUCLEOTIDE PHOSPHATE | A,B,E,F | 1F6M | 0.75 | |
NHV | (5R,6R,7S,8R)-6,7,8-trihydroxy- 5-(hydroxymethyl)-2-[(phenylamino)methyl]- 5,6,7,8-tetrahydro-1H-imidazo[1,2- a]pyridin-4-ium | A,B | 2VOT | 0.72 | |
TBN | '2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN- 7-YL)-5-HYDROXYMETHYL-TETRAHYDRO- FURAN-3,4-DIOL | A,B,C | 1PR5 | 0.7 | |
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 | |
JNK | N-{2'-[(4-FLUOROPHENYL)AMINO]-4,4'- BIPYRIDIN-2-YL}-4-METHOXYCYCLOHEXANECARBOXAMIDE | X | 2EXC | 0.71 | |
475 | N-[oxo(pyridin-2-ylamino)acetyl]- beta-D-glucopyranosylamine | A | 3CUV | 0.89 | |
368 | (1R)-2-{[AMINO(IMINO)METHYL]AMINO}- 1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE | A | 1ZLR | 0.71 | |
NDA | 3-AMINOMETHYL-PYRIDINIUM-ADENINE- DINUCLEOTIDE | A,B,C,D | 1EBU | 0.73 | |
A11 | ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B | 3E6L | 0.72 | |
BWP | (2S)-1-{4-[(4-ANILINO-5-BROMOPYRIMIDIN- 2-YL)AMINO]PHENOXY}-3-(DIMETHYLAMINO)PROPAN- 2-OL | A | 1H08 | 0.71 | |
1BY | [2-(PYRIDIN-2-YLAMINO)ETHANE-1,1- DIYL]BIS(PHOSPHONIC ACID) | A,B | 2I19 | 0.72 |