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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00617379

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.86
H186-CHLORO-4-(CYCLOHEXYLSULFINYL)-
3-PROPYLQUINOLIN-2(1H)-ONE
A1TL10.7
12BBENZO[CD]INDOL-2(1H)-ONEA,B2F670.7
DR15-METHYL-5H-INDOLO[3,2-B]QUINOLINEA1K9G0.71
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.82
LGD6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-
4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-
ONE
A2HVC0.77
TC83-(2,6-difluorophenyl)-2-(methylthio)quinazolin-
4(3H)-one
A3G3N0.7
C164-(4-methyl-1,3-dioxo-1,3-dihydro-
2H-isoindol-2-yl)benzonitrile
A3BNZ0.71
G3E3-hydroxyquinolin-2(1H)-oneA,B,C,D3G3E0.76
PYQPYROQUILONA1JA90.71
PYQPYROQUILONA,B,C,D1G0O0.71
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.73
LI63,4-DIHYDROXY-1-METHYLQUINOLIN-
2(1H)-ONE
A1YXV0.71
IDMINDOLINEA,B3CEP0.7
IDMINDOLINEA1AEK0.7
H166-CHLORO-4-(CYCLOHEXYLSULFANYL)-
3-PROPYLQUINOLIN-2(1H)-ONE
A1TKZ0.72