Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02221525
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 |
LG2![]() | 6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8- TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE- 3-CARBOXYLIC ACID | A,B,C,D | 1H9U | 0.7 | ![]() |
BI5![]() | 4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE | A | 1ZYJ | 0.75 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHQ | 0.75 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5L | 0.75 | ![]() |
NIO![]() | NICOTINIC ACID | A | 2F7F | 0.75 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5K | 0.75 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHY | 0.75 | ![]() |
NIO![]() | NICOTINIC ACID | A,B | 1FSL | 0.75 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5M | 0.75 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1LH6 | 0.75 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHO | 0.75 | ![]() |
NIO![]() | NICOTINIC ACID | A | 3CI8 | 0.75 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D | 1ICU | 0.75 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D,E,F, G,H | 3HRD | 0.75 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHA | 0.75 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHV | 0.75 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L4N | 0.75 | ![]() |
NIO![]() | NICOTINIC ACID | A | 2LH6 | 0.75 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1D0V | 0.75 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D | 1ICV | 0.75 | ![]() |
NIO![]() | NICOTINIC ACID | A,B | 1ICR | 0.75 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHR | 0.75 | ![]() |
896![]() | N-ETHYL-N-ISOPROPYL-3-METHYL-5- {[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE | B,H | 2UUJ | 0.73 | ![]() |
608![]() | N-(4-phenoxyphenyl)-2-[(pyridin- 4-ylmethyl)amino]nicotinamide | A,B | 2P2I | 0.71 | ![]() |
D3G![]() | (5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE | A,B,C,D | 2FDW | 0.79 | ![]() |
D1G![]() | N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE | A,B,C,D | 2FDU | 0.79 | ![]() |
982![]() | 3-(CARBOXYMETHOXY)THIENO[2,3-B]PYRIDINE- 2-CARBOXYLIC ACID | A | 2AZR | 0.75 | ![]() |
NTM![]() | QUINOLINIC ACID | A | 3C2O | 0.71 | ![]() |
NTM![]() | QUINOLINIC ACID | A,B | 1QAP | 0.71 | ![]() |
NTM![]() | QUINOLINIC ACID | A,B,C,D,E,F | 1QPQ | 0.71 | ![]() |
NTM![]() | QUINOLINIC ACID | A,B,C | 2B7N | 0.71 | ![]() |
NNO![]() | 6-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCK | 0.77 | ![]() |
NNO![]() | 6-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCM | 0.77 | ![]() |
368![]() | (1R)-2-{[AMINO(IMINO)METHYL]AMINO}- 1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE | A | 1ZLR | 0.75 | ![]() |
643![]() | 6-(4-{[3-(3,5-dichloropyridin-4- yl)-5-(1-methylethyl)isoxazol-4- yl]methoxy}-2-methylphenyl)-1-methyl- 1H-indole-3-carboxylic acid | A | 3FXV | 0.71 | ![]() |
PCH![]() | 3-AMINO-4-CYCLOHEXYL-1-(PYRIDIN- 4-YLOXY)BUTAN-2-OL | I | 1E82 | 0.7 | ![]() |
897![]() | N-[3-(TERT-BUTYLAMINO)-3-OXOPROPYL]- N-ISOPROPYL-3-METHYL-5-{[(2S)-2- (PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE | B,H | 2UUK | 0.72 | ![]() |
I01![]() | (4R)-4-(2-FLUORO-6-HYDROXY-3-METHOXY- BENZOYL)-BENZOIC ACID (3R)-3-[(PYRIDINE- 4-CARBONYL)AMINO]-AZEPAN-4-YL ESTER | A | 1SVE | 0.7 | ![]() |
INO![]() | 2-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCL | 0.72 | ![]() |
INO![]() | 2-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCJ | 0.72 | ![]() |
D2G![]() | N-METHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE | A,B,C,D | 2FDV | 0.77 | ![]() |
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 | ![]() |
3EA![]() | 2-{5-[3-(7-PROPYL-3-TRIFLUOROMETHYLBENZO[D]ISOXAZOL- 6-YLOXY)PROPOXY]INDOL-1-YL}ETHANOIC ACID | A,B | 2ATH | 0.71 | ![]() |
3IP![]() | 3-(BENZYLOXY)PYRIDIN-2-AMINE | A | 1W7H | 0.71 | ![]() |