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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00453623

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NN33-{ISOPROPYL[(TRANS-4-METHYLCYCLOHEXYL)CARBONYL]AMINO}-
5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID
A,B2GIR0.71
GWB4-[(CYCLOPROPYLETHYNYL)OXY]-6-FLUORO-
3-ISOPROPYLQUINOLIN-2(1H)-ONE
A1TKX0.73
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A1AMN0.7
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A,B2H9Y0.7
8883-(1,1-dioxido-4H-1,2,4-benzothiadiazin-
3-yl)-4-hydroxy-1-(3-methylbutyl)quinolin-
2(1H)-one
A,B2FVC0.77
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.73
LI63,4-DIHYDROXY-1-METHYLQUINOLIN-
2(1H)-ONE
A1YXV0.86
H166-CHLORO-4-(CYCLOHEXYLSULFANYL)-
3-PROPYLQUINOLIN-2(1H)-ONE
A1TKZ0.71
H186-CHLORO-4-(CYCLOHEXYLSULFINYL)-
3-PROPYLQUINOLIN-2(1H)-ONE
A1TL10.74
H126-CHLORO-4-(CYCLOHEXYLOXY)-3-PROPYLQUINOLIN-
2(1H)-ONE
A1TKT0.71
H206-CHLORO-4-(CYCLOHEXYLOXY)-3-ISOPROPYLQUINOLIN-
2(1H)-ONE
A1TL30.71
NN21-(2-CYCLOPROPYLETHYL)-3-(1,1-DIOXIDO-
2H-1,2,4-BENZOTHIADIAZIN-3-YL)-
6-FLUORO-4-HYDROXYQUINOLIN-2(1H)-
ONE
A,B2GIQ0.75
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID
G4GCH0.7
IPC3-[ISOPROPYL(4-METHYLBENZOYL)AMINO]-
5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID
A1YVX0.71