Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00289245
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 |
3MP | 3-METHYLPYRIDINE | A | 1EUB | 0.73 | |
3MP | 3-METHYLPYRIDINE | A | 1BM6 | 0.73 | |
3AP | 3-AMINOPYRIDINE | A | 1AEF | 0.7 | |
4AP | 4-AMINOPYRIDINE | A | 1AEG | 0.71 | |
AT2 | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B | 3E7S | 0.75 | |
AT2 | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B | 3E7M | 0.75 | |
AT2 | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B,C,D | 3E7G | 0.75 | |
BP5 | 3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE | A | 2PXH | 0.79 | |
DGB | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2G97 | 0.79 | |
DGB | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2GVJ | 0.79 | |
CDO | 2-((R)-1-((S)-2-(N-(6-CARBAMIMIDOYLPYRIDIN- 3-YL)METHYLCARBAMOYL)-2H-PYRROL- 1(5H)-YL)-3-CYCLOHEXYL-1-OXOPROPAN- 2-YLAMINO)ACETIC ACID | H | 2ANM | 0.73 | |
1CM | (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE | A | 2CI0 | 0.76 | |
BRT | 5-BROMONICOTINAMIDE | A,B | 1GXZ | 0.7 | |
793 | 3-{[(1R)-1-phenylethyl]amino}-4- (pyridin-4-ylamino)cyclobut-3-ene- 1,2-dione | A | 3FPM | 0.72 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.75 | |
CII | N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide | A | 2W0A | 0.77 | |
DTR | D-TRYPTOPHAN | A,B,C,D | 2R3C | 0.71 | |
DTR | D-TRYPTOPHAN | A | 1XY8 | 0.71 | |
DTR | D-TRYPTOPHAN | A,B,C,H,K,L | 2R5D | 0.71 | |
DTR | D-TRYPTOPHAN | A | 2V7K | 0.71 | |
DTR | D-TRYPTOPHAN | A,D | 1CZQ | 0.71 | |
DTR | D-TRYPTOPHAN | A | 1DFY | 0.71 | |
DTR | D-TRYPTOPHAN | A | 1XY5 | 0.71 | |
DTR | D-TRYPTOPHAN | A | 1NXN | 0.71 | |
DTR | D-TRYPTOPHAN | A | 1TKF | 0.71 | |
DTR | D-TRYPTOPHAN | A | 1YL9 | 0.71 | |
DTR | D-TRYPTOPHAN | A | 1XXZ | 0.71 | |
DTR | D-TRYPTOPHAN | A | 1XY4 | 0.71 | |
DTR | D-TRYPTOPHAN | A,D | 2Q3I | 0.71 | |
DTR | D-TRYPTOPHAN | A | 1QFB | 0.71 | |
DTR | D-TRYPTOPHAN | A | 1DFZ | 0.71 | |
DTR | D-TRYPTOPHAN | A | 1XY9 | 0.71 | |
DTR | D-TRYPTOPHAN | A | 1XY6 | 0.71 | |
DTR | D-TRYPTOPHAN | A | 2SOC | 0.71 | |
DTR | D-TRYPTOPHAN | A | 2JUE | 0.71 | |
DTR | D-TRYPTOPHAN | A | 1SOC | 0.71 | |
DTR | D-TRYPTOPHAN | A | 1YL8 | 0.71 | |
DTR | D-TRYPTOPHAN | A,B,C,D,E,F, G,H | 1DDO | 0.71 | |
DTR | D-TRYPTOPHAN | A,B | 2Q33 | 0.71 | |
DTR | D-TRYPTOPHAN | A | 1DG0 | 0.71 | |
DTR | D-TRYPTOPHAN | A,B,C,H,K,L | 2R5B | 0.71 | |
BVF | 4-METHYLPYRIDIN-2-AMINE | A,B | 3E67 | 0.73 | |
BVF | 4-METHYLPYRIDIN-2-AMINE | A | 2EUT | 0.73 | |
246 | 1-benzyl-3-(2-chloropyridin-4-yl)urea | A | 2QPM | 0.71 | |
C48 | N1-(1-DIMETHYLCARBAMOYL-2-PHENYL- ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL- ETHYL)-SUCCINAMIDE | A | 1CVZ | 0.73 | |
APY | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.71 | |
APY | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.71 | |
CM9 | CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)- 1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE | A | 2W09 | 0.73 | |
FXV | METHYL-3-(4'-N-OXOPYRIDYLPHENOYL)- 3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE | A | 1KSN | 0.71 | |
4PP | C,L | 1XKA | 0.73 | ||
4PP | A,B,C,D | 1XKB | 0.73 |