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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02135830

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
W032,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-
PROPANYL)-4-[2-METHYL-4-ISOXAZOLYL]-
PHENOL
1,41QJY0.79
TEI2-(3-CYANO-4-ISOBUTOXY-PHENYL)-
4-METHYL-5-THIAZOLE-CARBOXYLIC ACID
A,B1N5X0.77
W715-(7-(4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)HEPTYL)-
3-METHYL ISOXAZOLE
1,41PIV0.76
W715-(7-(4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)HEPTYL)-
3-METHYL ISOXAZOLE
1,41D4M0.76
W715-(7-(4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)HEPTYL)-
3-METHYL ISOXAZOLE
12R040.76
W845-(7-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)HEPTYL)-
3-METHYL ISOXAZOLE
12RS10.75
W845-(7-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)HEPTYL)-
3-METHYL ISOXAZOLE
11RUD0.75
W845-(7-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)HEPTYL)-
3-METHYL ISOXAZOLE
11RUI0.75
W845-(7-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)HEPTYL)-
3-METHYL ISOXAZOLE
11RUH0.75
W8R5-(7-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)HEPTYL)-
3-METHYL ISOXAZOLE
12RR10.75
W595-(7-(5-HYDRO-4-ETHYL-2-OXAZOLYL)PHENOXY)HEPTYL)-
3-METHYL ISOXAZOLE
12RS30.75
W565-(5-(4-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)PENTYL)-
3-METHYL ISOXAZOLE
12RS50.75
W355-(5-(4-(4,5-DIHYDRO-2-OXAZOLY)PHENOXY)PENTYL)-
3-METHYL ISOXAZOLE
11RUE0.75
W355-(5-(4-(4,5-DIHYDRO-2-OXAZOLY)PHENOXY)PENTYL)-
3-METHYL ISOXAZOLE
12R060.75
W355-(5-(4-(4,5-DIHYDRO-2-OXAZOLY)PHENOXY)PENTYL)-
3-METHYL ISOXAZOLE
11RUC0.75
W355-(5-(4-(4,5-DIHYDRO-2-OXAZOLY)PHENOXY)PENTYL)-
3-METHYL ISOXAZOLE
11RUG0.75
BT1{2-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-
PHENYL]-BENZO[B]THIOPHEN-3-YL}-
[4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYL]-
METHANONE
B,H1D3T0.73
MMB(2R,3E)-2-{4-[(5-METHYL-2-PHENYL-
1,3-OXAZOL-4-YL)METHOXY]BENZYL}-
3-(PROPOXYIMINO)BUTANOIC ACID
A,C2NPA0.71
MR62-(3,5-DIMETHYLPHENYL)-1,3-BENZOXAZOLEA,B2QGE0.71
W113-{3,5-DIMETHYL-4-[3-(3-METHYL-
ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-
5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE
A,D1NCR0.71
W113-{3,5-DIMETHYL-4-[3-(3-METHYL-
ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-
5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE
A1NA10.71
W113-{3,5-DIMETHYL-4-[3-(3-METHYL-
ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-
5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE
A1ND30.71
W113-{3,5-DIMETHYL-4-[3-(3-METHYL-
ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-
5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE
11C8M0.71
W113-{3,5-DIMETHYL-4-[3-(3-METHYL-
ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-
5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE
A1NCQ0.71
7352-METHYL-2-(4-{[({4-METHYL-2-[4-
(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOL-
5-YL}CARBONYL)AMINO]METHYL}PHENOXY)PROPANOIC ACID
A2P540.71
W435-(7-(6-CHLORO-4-(5-HYDRO-4-METHYL-
2-OXAZOLYL)PHENOXY)HEPTYL)-3-METHYL ISOXAZOLE
12RM20.7
W335-(5-(6-CHLORO-4-(4,5-DIHYDRO-2-
OXAZOLYL)PHENOXY)PENTYL)-3-METHYL ISOXAZOLE
12R070.7