Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00001386
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 |
W91 | 5-(3-(2,6-DICHLORO-4-(4,5-DIHYDRO- 2-OXAZOLYL)PHENOXY)PROPYL)-3-METHYL ISOXAZOLE | 1 | 2HWB | 0.72 |  |
| W91 | 5-(3-(2,6-DICHLORO-4-(4,5-DIHYDRO- 2-OXAZOLYL)PHENOXY)PROPYL)-3-METHYL ISOXAZOLE | 1 | 2HWD | 0.72 | |
234 | 5-{2-FLUORO-5-[3-(3-HYDROXY-2-METHOXYCARBONYL- PHENOXY)-PROPENYL]-PHENYL}-ISOXAZOLE- 3-CARBOXYLIC ACID | A | 1Q1M | 0.75 | |
W71 | 5-(7-(4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)HEPTYL)- 3-METHYL ISOXAZOLE | 1,4 | 1PIV | 0.83 | |
| W71 | 5-(7-(4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)HEPTYL)- 3-METHYL ISOXAZOLE | 1,4 | 1D4M | 0.83 | |
| W71 | 5-(7-(4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)HEPTYL)- 3-METHYL ISOXAZOLE | 1 | 2R04 | 0.83 | |
W03 | 2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]- PROPANYL)-4-[2-METHYL-4-ISOXAZOLYL]- PHENOL | 1,4 | 1QJY | 0.73 | |
W59 | 5-(7-(5-HYDRO-4-ETHYL-2-OXAZOLYL)PHENOXY)HEPTYL)- 3-METHYL ISOXAZOLE | 1 | 2RS3 | 0.83 | |
W56 | 5-(5-(4-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)PENTYL)- 3-METHYL ISOXAZOLE | 1 | 2RS5 | 0.82 | |
COX | 4-(5-METHYL-3-PHENYLISOXAZOL-4- YL)BENZENESULFONAMIDE | A | 2AW1 | 0.75 | |
19B | 4-methyl-N-(3-morpholin-4-ylphenyl)- 3-(3-piperidin-4-yl-1,2-benzisoxazol- 6-yl)benzamide | A | 3E93 | 0.71 | |
4DE | 1-(4-METHOXYPHENYL)-3,5-DIMETHYL- 1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER | A,B | 1Y2D | 0.71 | |
W33 | 5-(5-(6-CHLORO-4-(4,5-DIHYDRO-2- OXAZOLYL)PHENOXY)PENTYL)-3-METHYL ISOXAZOLE | 1 | 2R07 | 0.76 | |
W01 | 2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]- PROPANYL)-4-[2N-METHYL-2H-TETRAZOL- 5-YL]-PHENOL | 1,4 | 1QJU | 0.75 | |
W35 | 5-(5-(4-(4,5-DIHYDRO-2-OXAZOLY)PHENOXY)PENTYL)- 3-METHYL ISOXAZOLE | 1 | 1RUE | 0.82 | |
| W35 | 5-(5-(4-(4,5-DIHYDRO-2-OXAZOLY)PHENOXY)PENTYL)- 3-METHYL ISOXAZOLE | 1 | 2R06 | 0.82 | |
| W35 | 5-(5-(4-(4,5-DIHYDRO-2-OXAZOLY)PHENOXY)PENTYL)- 3-METHYL ISOXAZOLE | 1 | 1RUC | 0.82 | |
| W35 | 5-(5-(4-(4,5-DIHYDRO-2-OXAZOLY)PHENOXY)PENTYL)- 3-METHYL ISOXAZOLE | 1 | 1RUG | 0.82 | |
O62 | 6-(4-{[3-(2,6-dichlorophenyl)-5- (1-methylethyl)isoxazol-4-yl]methoxy}phenyl)naphthalene- 1-carboxylic acid | A | 3DCU | 0.71 | |
W54 | 5-(5-(2,6-DICHLORO-4-(4,5-DIHYDRO- 2-OXAZOLY)PHENOXY)PENTYL)-3-METHYL ISOXAZOLE | 1 | 2HWC | 0.75 | |
| W54 | 5-(5-(2,6-DICHLORO-4-(4,5-DIHYDRO- 2-OXAZOLY)PHENOXY)PENTYL)-3-METHYL ISOXAZOLE | 1 | 2HWE | 0.75 | |
W84 | 5-(7-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)HEPTYL)- 3-METHYL ISOXAZOLE | 1 | 2RS1 | 0.83 | |
| W84 | 5-(7-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)HEPTYL)- 3-METHYL ISOXAZOLE | 1 | 1RUD | 0.83 | |
| W84 | 5-(7-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)HEPTYL)- 3-METHYL ISOXAZOLE | 1 | 1RUI | 0.83 | |
| W84 | 5-(7-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)HEPTYL)- 3-METHYL ISOXAZOLE | 1 | 1RUH | 0.83 | |
D25 | 3-phenyl-5-(1H-pyrazol-3-yl)isoxazole | A,B,C,D | 2VCQ | 0.71 | |
PXB | parecoxib | A | 2ZMB | 0.74 | |
GNI | (3-{4-[2-(2,4-DICHLORO-PHENOXY)- ETHYLCARBAMOYL]-5-PHENYL-ISOXAZOL- 3-YL}-PHENYL)-ACETIC ACID | A,B | 2J14 | 0.71 | |
IX1 | 5-(3-{3-[3-HYDROXY-2-(METHOXYCARBONYL)PHENOXY]PROPENYL}PHENYL)- 4-(HYDROXYMETHYL)ISOXAZOLE-3-CARBOXYLIC ACID | A | 1XBO | 0.73 | |
W02 | 2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]- PROPANYL)-4-[4-METHYL-2H-TETRAZOL- 2-YL]-PHENOL | 1,4 | 1QJX | 0.75 | |
W8R | 5-(7-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)HEPTYL)- 3-METHYL ISOXAZOLE | 1 | 2RR1 | 0.83 | |
064 | 3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)- 5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid | A | 3DCT | 0.73 | |
W43 | 5-(7-(6-CHLORO-4-(5-HYDRO-4-METHYL- 2-OXAZOLYL)PHENOXY)HEPTYL)-3-METHYL ISOXAZOLE | 1 | 2RM2 | 0.76 | |