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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02175387

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CNQ3-(4-CHLOROPHENYL)QUINOXALINE-5-
CARBOXAMIDE
A,B,C,D1WOK0.7
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.7
311(3,3-dimethylpiperidin-1-yl)(6-
(3-fluoro-4-methylphenyl)pyridin-
2-yl)methanone
A,B,D,E3CH60.75
A4C9,9'-(HEXANE-1,6-DIYLDIIMINO)BIS{N-
[2-(DIMETHYLAMINO)ETHYL]ACRIDINE-
4-CARBOXAMIDE}
A2GWA0.74
A4C9,9'-(HEXANE-1,6-DIYLDIIMINO)BIS{N-
[2-(DIMETHYLAMINO)ETHYL]ACRIDINE-
4-CARBOXAMIDE}
A,B2GB90.74
A2TN-[1-(3-METHYLBUTYL)PIPERIDIN-4-
YL]-N-{4-[METHYL(PYRIDIN-4-YL)AMINO]BENZYL}-
4-PENTYLBENZAMIDE
A,B2IGY0.7
A2E(5S)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-
9-YLAMINO)DECYL]AMINO}-5,6,7,8-
TETRAHYDROQUINOLIN-2(1H)-ONE
A,B1ZGC0.71
QNC2-CARBONYLQUINOLINEA,B1MTB0.93
QNC2-CARBONYLQUINOLINEA,B2FGV0.93
QNC2-CARBONYLQUINOLINEI1IVQ0.93
QNC2-CARBONYLQUINOLINEA,B2FGU0.93
QNC2-CARBONYLQUINOLINEA1JLD0.93
QNC2-CARBONYLQUINOLINEA,B1HXB0.93
P4O2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-
1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-
C]PYRIDIN-4-ONE
A2JBO0.7
P4O2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-
1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-
C]PYRIDIN-4-ONE
A,B,C,D,E,F,
G,H,I,K,L
2JBP0.7
A8NN-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-
1,8-DIAMINOOCTANE
A1UT60.71
BRFA1UUO0.74
7AD9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE-
4-CARBOXAMIDE
A,B1RQY0.8
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.71
NCL3,6-Bis{3-(3-[(3R)-methylpiperidino)]propionamido}acridineA,B3ET80.7
SN61-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUMA,B144D0.75
IQZ(12bS)-1,2,3,4,12,12b-hexahydroindolo[2,3-
a]quinolizin-7(6H)-one
A1S1J0.72
BDCBIS-(9-OCTYLAMINO(2-DIMETHYLAMINOETHYL)ACRIDINE-
4-CARBOXAMIDE
A,B1K2L0.74
PHN1,10-PHENANTHROLINEA1LIH0.7
PHN1,10-PHENANTHROLINEA2LIG0.7
PHN1,10-PHENANTHROLINEA,B2FU70.7
2AQQUINOLIN-2-AMINEA2OHL0.73
DAX5-BROMO-N[2-(DIMETHYLAMINO)ETHYL]-
9-AMINOACRIDINE-4-CARBOXAMIDE
A1M690.71
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE
A,B1FN20.8
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE
A,B1FN10.8
NCK3,6-Bis[3-(4-methylpiperidino)propionamido]acridineA,B3ES00.7
DA66-BROMO-9-AMINO-N-ETHYL(DIAMINOMETHYL)ACRIDINE-
4-CARBOXAMIDE
A366D0.73
ZAM3-[(ACETYL-METHYL-AMINO)-METHYL]-
4-AMINO-N-METHYL-N-(1-METHYL-1H-
INDOL-2-YLMETHYL)-BENZAMIDE
A,B1LX60.75
SN74-[4-[2-AMINO-4-[4,6-(N-METHYLQUINOLINIUM)AMINO]BENZAMIDO]ANILINO]-
N-METHYLPYRIDINIUM MESYLATE
A328D0.73
NCJ3,6-Bis{3-[(2R)-2-methylpiperidino)]propionamido}acridineA,B3ERU0.7
MIB(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-
3-EN-2-ONE
A1ZS50.7
A1E(5R)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-
9-YLAMINO)DECYL]AMINO}-5,6,7,8-
TETRAHYDROQUINOLIN-2(1H)-ONE
A1ZGB0.71
THATACRINEA,B2AOW0.77
THATACRINEA,B,C,D,E,F1MX10.77
THATACRINEA,B2AOX0.77
THATACRINEA1ACJ0.77
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID
A1D3G0.74
9AC9-ACRIDINECARBONYLA,B,G,J,K,L,M1G3X0.92
DA55-BROMO-9-AMINO-N-ETHYL(DIAMINOMETHYL)ACRIDINE-
4-CARBOXAMIDE
A,B367D0.71
DA75-FLUORO-9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE
A1DL80.76
I409-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINEA1QON0.71
3733-(5-{[4-(AMINOMETHYL)PIPERIDIN-
1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN-
2(1H)-ONE
A2HXQ0.7
MYTMETYRAPONEA1PHG0.72
MYTMETYRAPONEA1W0G0.72
DRC9-AMINO-N-[2-(4-MORPHOLINYL)ETHYL]-
4-ACRIDINECARBOXAMIDE
A1KCI0.75
PRLPROFLAVINH,I1BCU0.76
PRLPROFLAVINA,B,D,E1QVT0.76
PRLPROFLAVINA,B2KD40.76
PRLPROFLAVINA1QVU0.76
QNDQUINALDIC ACIDA,B1IDA0.77
MM0N,N'-(dibenzo[b,j][1,7]phenanthroline-
2,10-diyldimethanediyl)dipropan-
1-amine
B2JWQ0.71
9AD9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE
A465D0.79
9AD9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE
A452D0.79
I3A1H-INDOLE-3-CARBALDEHYDEA,B,C,D3BWL0.73
I3A1H-INDOLE-3-CARBALDEHYDEA,B2OU30.73
TTR9-ACETYL-2,3,4,9-TETRAHYDRO-1H-
CARBAZOL-1-ONE
A2D820.77
SNX2-[(2-methoxyethyl)amino]-4-(4-
oxo-1,2,3,4-tetrahydro-9H-carbazol-
9-yl)benzamide
A3D0B0.7
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.73
7609-(3-PHENYLMETHYLAMINO)-1,2,3,4-
TETRAHYDROACRIDINE
A1DX40.72