Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02097595
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 |
APT | 2-AMINO-6-[(4-CARBOXY-PHENYLAMINO)- METHYL]-4-HYDROXY-PTERIDIN-1-IUM | A,B | 1QCJ | 0.74 | |
4RB | 4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2- b]pyridazin-3-yl)benzoic acid | A | 3BQR | 0.81 | |
FXG | N-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamide | A | 3DAJ | 0.71 | |
S91 | [4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN- 2-YL}AMINO)PHENYL]ACETIC ACID | A | 2Z8C | 0.72 | |
S91 | [4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN- 2-YL}AMINO)PHENYL]ACETIC ACID | A | 2Z7L | 0.72 | |
G14 | 2-phenyl-1H-imidazole-4-carboxylic acid | A,B | 3GRJ | 0.8 | |
PT1 | PTEROIC ACID | A,B | 1TX0 | 0.72 | |
PT1 | PTEROIC ACID | A | 1BR6 | 0.72 | |
PT1 | PTEROIC ACID | A,B | 1HWP | 0.72 | |
AXD | 2-[4-({2-[(2S,5R)-2-(AMINOMETHYL)- 5-ETHYNYLPYRROLIDIN-1-YL]-2-OXOETHYL}AMINO)- 4-METHYLPIPERIDIN-1-YL]ISONICOTINIC ACID | B | 2I03 | 0.71 | |
SU9 | (3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)- 5-METHOXY-1H-INDOL-2(3H)-ONE | A | 1PF8 | 0.71 | |
TRN | NZ2-TRYPTOPHAN | A,B,C | 1AM7 | 0.76 | |
GMG | [4-(5-naphthalen-2-yl-1H-pyrrolo[2,3- b]pyridin-3-yl)phenyl]acetic acid | A | 3HDN | 0.73 | |
688 | 2-[AMINO(IMINO)METHYL]-2-HYDROXYPHENOXY]- 6-[3-(4,5-DIHYDRO-1H-IMIDAZOL-2- YL)PHENOXY]PYRIDINE-4-CARBOXYLIC ACID | A | 1QBN | 0.73 | |
RC7 | {(2R)-4-(4-HYDROXYBENZYL)-2-[2- (1H-IMIDAZOL-4-YL)ETHYL]-5-OXO- 2,5-DIHYDRO-1H-IMIDAZOL-1-YL}ACETALDEHYDE | A,B,C,D | 2GW4 | 0.72 | |
IM1 | B | 1BDQ | 0.72 | ||
IM1 | A,B | 1TCW | 0.72 | ||
IM1 | A | 1SBG | 0.72 | ||
IM1 | A,B | 1BDL | 0.72 | ||
IM1 | B | 1BDR | 0.72 | ||
IM1 | A | 1TCX | 0.72 | ||
IH4 | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL) | A | 2BJU | 0.79 | |
NFL | 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID | A | 1TD7 | 0.74 | |
TFG | 2,2,2-TRIFLUORO-1-{5-[(3-PHENYL- 5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN- 7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE- 1,1-DIOL | A,B | 2VQQ | 0.71 | |
TFG | 2,2,2-TRIFLUORO-1-{5-[(3-PHENYL- 5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN- 7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE- 1,1-DIOL | A,B | 2VQO | 0.71 | |
TFG | 2,2,2-TRIFLUORO-1-{5-[(3-PHENYL- 5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN- 7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE- 1,1-DIOL | A | 2VQJ | 0.71 | |
7CS | (3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT- 3-YL 1H-PYRROLO[2,3-B]PYRIDINE- 3-CARBOXYLATE | A | 2QHM | 0.72 | |
24X | H,L | 2EC9 | 0.75 | ||
PIM | 4-PHENYL-1H-IMIDAZOLE | A,B | 2D0T | 0.72 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1E9X | 0.72 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1PHD | 0.72 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A,B,C,D | 2RFC | 0.72 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1ODO | 0.72 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 3E5K | 0.72 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1PHE | 0.72 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A,B | 1F4T | 0.72 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1S1F | 0.72 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1PHF | 0.72 | |
PVB | PURVALANOL | A | 1CKP | 0.7 | |
PVB | PURVALANOL | A,B | 1V0P | 0.7 | |
ICO | 1H-INDOLE-3-CARBOXYLIC ACID | L | 2PIP | 0.71 | |
MMG | 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin- 3-yl)benzoic acid | A | 3HDM | 0.82 | |
IEY | 2-((1E)-2-(5-IMIDAZOLYL)ETHENYL)- 4-(P-HYDROXYBENZYLIDENE)-5-IMIDAZOLINONE | A,B,C,D | 2BTJ | 0.72 | |
IEY | 2-((1E)-2-(5-IMIDAZOLYL)ETHENYL)- 4-(P-HYDROXYBENZYLIDENE)-5-IMIDAZOLINONE | A,B,C,D | 2VVJ | 0.72 |