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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00927973

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
KIQ(1S,6R)-3-{[3-(TRIFLUOROMETHYL)-
5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-
A]PYRAZIN-7(8H)-YL]CARBONYL}-6-
(2,4,5-TRIFLUOROPHENYL)CYCLOHEX-
3-EN-1-AMINE
B2I780.7
448(2R)-4-[(8R)-8-METHYL-2-(TRIFLUOROMETHYL)-
5,6-DIHYDRO[1,2,4]TRIAZOLO[1,5-
A]PYRAZIN-7(8H)-YL]-4-OXO-1-(2,4,5-
TRIFLUOROPHENYL)BUTAN-2-AMINE
A,B,S2QOE0.71
CL3N-METHYL-N-[3-(6-PHENYL[1,2,4]TRIAZOLO[4,3-
B]PYRIDAZIN-3-YL)PHENYL]ACETAMIDE
A1Y2G0.7
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,D2FS90.71
715(2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-
5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-
A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-
2-AMINE
A,B1X700.71
VX2N-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-
b]pyridazin-6-amine
A3BGQ0.74
3TP(2S,3S)-3-{3-[4-(METHYLSULFONYL)PHENYL]-
1,2,4-OXADIAZOL-5-YL}-1-OXO-1-PYRROLIDIN-
1-YLBUTAN-2-AMINE
A,B2HHA0.78
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