Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01194567
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 |
FR2 | 1-((1R)-1-(HYDROXYMETHYL)-3-PHENYLPROPYL)- 1H-IMIDAZOLE-4-CARBOXAMIDE | A | 1NDW | 0.7 | |
C92 | N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)- 4-methyl-benzene-1,3-dicarboxamide | A,B | 3CPB | 0.73 | |
I24 | 2-butoxy-9-(2,6-difluorobenzyl)- N-(2-morpholin-4-ylethyl)-9H-purin- 6-amine | A,B | 2VVT | 0.73 | |
3MN | 3-({3-[3-(1H-IMIDAZOL-1-YL)PROPYL]- 5-METHYL-5-(1-NAPHTHYL)-2,4-DIOXOIMIDAZOLIDIN- 1-YL}METHYL)BENZONITRILE | B | 2F0Y | 0.74 | |
IH4 | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL) | A | 2BJU | 0.78 | |
FTI | 1-{2-[3-(4-CYANO-BENZYL)-3H-IMIDAZOL- 4-YL]-ACETYL}-5-NAPHTHALEN-1-YL- 1,2,3,6-TETRAHYDRO-PYRIDINE-4-CARBONITRILE | B | 1N9A | 0.72 | |
GSZ | N-[(5R,6R,7R,8S)-6,7-DIHYDROXY- 5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)- 1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2- A]PYRIDIN-8-YL]-2-METHYLPROPANAMIDE | A,B | 2J62 | 0.73 | |
FRT | N-(2-METHOXYETHYL)-4-({4-[2-METHYL- 1-(1-METHYLETHYL)-1H-IMIDAZOL-5- YL]PYRIMIDIN-2-YL}AMINO)BENZENESULFONAMIDE | A | 2W05 | 0.7 | |
IH3 | 2-(2,2-DIPHENYL-ETHYL)-7-METHYL- 1,3-DIOXO-2,3,5,8-TETRAHYDRO-1H- [1,2,4] TRIAZOLO[1,2-A]PYRIDAZINE- 5-CARBOXYLIC ACID [4-(2-AMINO-3H- IMIDAZOL-4-YL)-CYCLOHEXYL]-AMIDE | 2,3 | 1C4Y | 0.71 | |
FR3 | 1-((1R)-1-(HYDROXYMETHYL)-3-(1- NAPHTHYL)PROPYL)-1H-IMIDAZOLE-4- CARBOXAMIDE | A | 1NDY | 0.71 | |
FR6 | 1-{(1R,2S)-2-HYDROXY-1-[2-(1-NAPHTHYL)ETHYL]PROPYL}- 1H-IMIDAZOLE-4-CARBOXAMIDE | A | 2E1W | 0.71 | |
1BN | 1-BENZYL-1H-IMIDAZOLE | A,B | 2AFX | 0.74 | |
GK6 | N-{4'-[(cyclopropylmethyl)carbamoyl]- 6-methylbiphenyl-3-yl}-2-morpholin- 4-ylpyridine-4-carboxamide | A | 3D83 | 0.74 | |
084 | 4-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN- 4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)- 1H-IMIDAZOL-2-YL]-PIPERIDINE | A | 1OUK | 0.73 | |
HBN | N-(2-NAPHTHYL)HISTIDINAMIDE | B | 1VEA | 0.72 | |
FTH | 1-[2-(4-CYANO-BENZYLAMINO)-3-(3- METHYL-3H-IMIDAZOL-4-YL)-PROPIONYL]- 5-NAPHTHALEN-1-YL-1,2,3,6-TETRAHYDRO- PYRIDINE-4-CARBONITRILE | B | 1N95 | 0.74 | |
I19 | N-(4-{[(3S)-3-(dimethylamino)pyrrolidin- 1-yl]carbonyl}phenyl)-5-fluoro- 4-[2-methyl-1-(1-methylethyl)-1H- imidazol-5-yl]pyrimidin-2-amine | A | 2W17 | 0.71 | |
IM1 | B | 1BDQ | 0.75 | ||
IM1 | A,B | 1TCW | 0.75 | ||
IM1 | A | 1SBG | 0.75 | ||
IM1 | A,B | 1BDL | 0.75 | ||
IM1 | B | 1BDR | 0.75 | ||
IM1 | A | 1TCX | 0.75 | ||
C24 | 3-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)- METHYL]-3-METHYL-3H-BENZOIMIDAZOLE- 5-CARBONYL}-PYRIDIN-2-YL-AMINO)- PROPIONIC ACID ETHYL ESTER | B,C | 1KTS | 0.71 |