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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01070673

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PXBparecoxibA2ZMB0.79
W8R5-(7-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)HEPTYL)-
3-METHYL ISOXAZOLE
12RR10.78
W845-(7-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)HEPTYL)-
3-METHYL ISOXAZOLE
12RS10.78
W845-(7-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)HEPTYL)-
3-METHYL ISOXAZOLE
11RUD0.78
W845-(7-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)HEPTYL)-
3-METHYL ISOXAZOLE
11RUI0.78
W845-(7-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)HEPTYL)-
3-METHYL ISOXAZOLE
11RUH0.78
W335-(5-(6-CHLORO-4-(4,5-DIHYDRO-2-
OXAZOLYL)PHENOXY)PENTYL)-3-METHYL ISOXAZOLE
12R070.71
W435-(7-(6-CHLORO-4-(5-HYDRO-4-METHYL-
2-OXAZOLYL)PHENOXY)HEPTYL)-3-METHYL ISOXAZOLE
12RM20.72
COX4-(5-METHYL-3-PHENYLISOXAZOL-4-
YL)BENZENESULFONAMIDE
A2AW10.78
W355-(5-(4-(4,5-DIHYDRO-2-OXAZOLY)PHENOXY)PENTYL)-
3-METHYL ISOXAZOLE
11RUE0.77
W355-(5-(4-(4,5-DIHYDRO-2-OXAZOLY)PHENOXY)PENTYL)-
3-METHYL ISOXAZOLE
12R060.77
W355-(5-(4-(4,5-DIHYDRO-2-OXAZOLY)PHENOXY)PENTYL)-
3-METHYL ISOXAZOLE
11RUC0.77
W355-(5-(4-(4,5-DIHYDRO-2-OXAZOLY)PHENOXY)PENTYL)-
3-METHYL ISOXAZOLE
11RUG0.77
W595-(7-(5-HYDRO-4-ETHYL-2-OXAZOLYL)PHENOXY)HEPTYL)-
3-METHYL ISOXAZOLE
12RS30.78
KGY4-({[4-(BUT-2-YN-1-YLOXY)PHENYL]SULFONYL}METHYL)-
1-[(3,5-DIMETHYLISOXAZOL-4-YL)SULFONYL]-
N-HYDROXYPIPERIDINE-4-CARBOXAMIDE
A,B,C,D2I470.72
W545-(5-(2,6-DICHLORO-4-(4,5-DIHYDRO-
2-OXAZOLY)PHENOXY)PENTYL)-3-METHYL ISOXAZOLE
12HWC0.7
W545-(5-(2,6-DICHLORO-4-(4,5-DIHYDRO-
2-OXAZOLY)PHENOXY)PENTYL)-3-METHYL ISOXAZOLE
12HWE0.7
W565-(5-(4-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)PENTYL)-
3-METHYL ISOXAZOLE
12RS50.77
W715-(7-(4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)HEPTYL)-
3-METHYL ISOXAZOLE
1,41PIV0.77
W715-(7-(4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)HEPTYL)-
3-METHYL ISOXAZOLE
1,41D4M0.77
W715-(7-(4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)HEPTYL)-
3-METHYL ISOXAZOLE
12R040.77