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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01144714

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
T303-[1-(4-fluorophenyl)cyclopropyl]-
4-(1-methylethyl)-5-[4-(trifluoromethoxy)phenyl]-
4H-1,2,4-triazole
A,B,C,D3D5Q0.71
C3AALLYL {(1S)-1-[(5-{4-[(2,3-DIHYDRO-
1H-INDEN-2-YLAMINO)CARBONYL]BENZYL}-
1,2,4-OXADIAZOL-3-YL)CARBONYL]-
3-PYRROLIDIN-3-YLPROPYL}CARBAMATE
A,B,C,D2FS80.74
C3AALLYL {(1S)-1-[(5-{4-[(2,3-DIHYDRO-
1H-INDEN-2-YLAMINO)CARBONYL]BENZYL}-
1,2,4-OXADIAZOL-3-YL)CARBONYL]-
3-PYRROLIDIN-3-YLPROPYL}CARBAMATE
A,B,C,D2FXR0.74
ZMA4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-
a][1,3,5]triazin-5-yl)amino]ethyl}phenol
A3EML0.72
C4AETHYL {(1S)-5-AMINO-1-[(5-{4-[(2,3-
DIHYDRO-1H-INDEN-2-YLAMINO)CARBONYL]BENZYL}-
1,2,4-OXADIAZOL-3-YL)CARBONYL]PENTYL}CARBAMATE
A,B,C,D2FS90.73
5AMBENZYL {(1S)-5-AMINO-1-[(S)-HYDROXY(5-
{[4-(4-PHENYLBUTANOYL)PIPERAZIN-
1-YL]METHYL}-1,2,4-OXADIAZOL-3-
YL)METHYL]PENTYL}CARBAMATE
A,B,C,D2GDD0.71
3484-[(1R,3AS,4R,8AS,8BR)-1-ISOPROPYL-
2-(4-METHOXYBENZYL)-3-OXODECAHYDROPYRROLO[3,4-
A]PYRROLIZIN-4-YL]BENZENECARBOXIMIDAMIDE
H2CF90.7
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