Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00318359
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 |
368 | (1R)-2-{[AMINO(IMINO)METHYL]AMINO}- 1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE | A | 1ZLR | 0.77 | |
AT2 | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B | 3E7S | 0.74 | |
AT2 | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B | 3E7M | 0.74 | |
AT2 | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B,C,D | 3E7G | 0.74 | |
NCA | NICOTINAMIDE | A,B | 2E5D | 0.74 | |
NCA | NICOTINAMIDE | A,B,C,D | 2Z77 | 0.74 | |
NCA | NICOTINAMIDE | A,B | 1DMA | 0.74 | |
NCA | NICOTINAMIDE | A,B | 1ISM | 0.74 | |
NCA | NICOTINAMIDE | A,B | 1YC5 | 0.74 | |
NCA | NICOTINAMIDE | A | 2ZB7 | 0.74 | |
NCA | NICOTINAMIDE | A,B,C,D,E,F, G,H | 1R15 | 0.74 | |
NCA | NICOTINAMIDE | A,B | 2QQG | 0.74 | |
NCA | NICOTINAMIDE | A | 2OTV | 0.74 | |
NCA | NICOTINAMIDE | A | 2QHF | 0.74 | |
NCA | NICOTINAMIDE | A,B,C,D | 2C8A | 0.74 | |
NCA | NICOTINAMIDE | A,B | 2HJH | 0.74 | |
NCA | NICOTINAMIDE | A | 2A15 | 0.74 | |
NCA | NICOTINAMIDE | A | 2R6V | 0.74 | |
NCA | NICOTINAMIDE | A,B | 1ISI | 0.74 | |
NCA | NICOTINAMIDE | A,D,E | 2R9J | 0.74 | |
NCA | NICOTINAMIDE | A | 2H4J | 0.74 | |
NCA | NICOTINAMIDE | A,B | 2OD9 | 0.74 | |
NCA | NICOTINAMIDE | A,B,C,D,E | 1YC2 | 0.74 | |
NCA | NICOTINAMIDE | A,B | 3DZG | 0.74 | |
NCA | NICOTINAMIDE | A | 1OJU | 0.74 | |
NA3 | (3S)-3-{[(5-BROMOPYRIDIN-3-YL)CARBONYL]AMINO}- 4-OXOBUTANOIC ACID | A | 1RE1 | 0.7 | |
NFL | 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID | A | 1TD7 | 0.88 | |
AXD | 2-[4-({2-[(2S,5R)-2-(AMINOMETHYL)- 5-ETHYNYLPYRROLIDIN-1-YL]-2-OXOETHYL}AMINO)- 4-METHYLPIPERIDIN-1-YL]ISONICOTINIC ACID | B | 2I03 | 0.76 | |
LG4 | 5-METHYLPYRIDIN-2-AMINE | A | 2EUP | 0.72 | |
C92 | N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)- 4-methyl-benzene-1,3-dicarboxamide | A,B | 3CPB | 0.72 | |
3BD | 7-amino-2-tert-butyl-4-(4-pyrimidin- 2-ylpiperazin-1-yl)pyrido[2,3-d]pyrimidine- 6-carboxamide | A | 3BAB | 0.71 | |
G44 | 4-({[4-(3-METHYLBENZOYL)PYRIDIN- 2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE | C,D | 2PKS | 0.74 | |
7CS | (3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT- 3-YL 1H-PYRROLO[2,3-B]PYRIDINE- 3-CARBOXYLATE | A | 2QHM | 0.74 | |
G14 | 2-phenyl-1H-imidazole-4-carboxylic acid | A,B | 3GRJ | 0.7 | |
3BA | 7-amino-2-tert-butyl-4-{[2-(1H- imidazol-4-yl)ethyl]amino}pyrido[2,3- d]pyrimidine-6-carboxamide | A | 3BAA | 0.71 | |
24X | H,L | 2EC9 | 0.77 | ||
859 | 2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN- 4-YL}AMINO)BENZAMIDE | A,B | 2NO3 | 0.75 | |
NCN | NICOTINATE MONONUCLEOTIDE | A,B | 2QTN | 0.71 | |
NCN | NICOTINATE MONONUCLEOTIDE | A | 1L4F | 0.71 | |
NCN | NICOTINATE MONONUCLEOTIDE | A | 1L4L | 0.71 | |
NCN | NICOTINATE MONONUCLEOTIDE | A,B,C,D | 1YUM | 0.71 | |
NCN | NICOTINATE MONONUCLEOTIDE | A | 1L4M | 0.71 | |
NCN | NICOTINATE MONONUCLEOTIDE | A,B,C,D,E,F | 1QPN | 0.71 | |
NCN | NICOTINATE MONONUCLEOTIDE | A,B,C | 2B7Q | 0.71 | |
NCN | NICOTINATE MONONUCLEOTIDE | A | 1L4K | 0.71 | |
NCN | NICOTINATE MONONUCLEOTIDE | A | 1L4G | 0.71 | |
NCN | NICOTINATE MONONUCLEOTIDE | A | 1YTK | 0.71 | |
NCN | NICOTINATE MONONUCLEOTIDE | A | 1L4H | 0.71 | |
NCN | NICOTINATE MONONUCLEOTIDE | A | 1L5O | 0.71 | |
BVF | 4-METHYLPYRIDIN-2-AMINE | A,B | 3E67 | 0.7 | |
BVF | 4-METHYLPYRIDIN-2-AMINE | A | 2EUT | 0.7 | |
608 | N-(4-phenoxyphenyl)-2-[(pyridin- 4-ylmethyl)amino]nicotinamide | A,B | 2P2I | 0.74 | |
NA4 | 4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)- PYRIDIN-3-YL]-BENZOIC ACID | A,C | 1RHM | 0.71 | |
DZF | 5-DEAZAFOLIC ACID | A,B | 2DHF | 0.74 | |
DZF | 5-DEAZAFOLIC ACID | A,B | 1DYH | 0.74 | |
DZF | 5-DEAZAFOLIC ACID | A,B,C,D | 1CDE | 0.74 |