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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02218728

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
14C2-(2-chloropyridin-4-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione
A3C060.78
14C2-(2-chloropyridin-4-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione
A3C0A0.78
P4O2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-
1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-
C]PYRIDIN-4-ONE
A2JBO0.72
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
2JBP0.72
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.72
SN61-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUMA,B144D0.72
9AC9-ACRIDINECARBONYLA,B,G,J,K,L,M1G3X0.82
ME43-CHLORO-N-((1R,2S) -2-(4-(2-OXOPYRIDIN-
1(2H)-YL)BENZAMIDO)CYCLOHEXYL)-
1H-INDOLE-6-CARBOXAMIDE
A2P940.71
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2WHQ0.7
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2WHP0.7
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2GYU0.7
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid
A,B2VYA0.71
PHN1,10-PHENANTHROLINEA1LIH0.72
PHN1,10-PHENANTHROLINEA2LIG0.72
PHN1,10-PHENANTHROLINEA,B2FU70.72
TSR2-(1H-INDOL-3-YL)ACETAMIDED,H2OJY0.71
TSR2-(1H-INDOL-3-YL)ACETAMIDEA,D,H2OIZ0.71
I3A1H-INDOLE-3-CARBALDEHYDEA,B,C,D3BWL0.77
I3A1H-INDOLE-3-CARBALDEHYDEA,B2OU30.77
MYTMETYRAPONEA1PHG0.74
MYTMETYRAPONEA1W0G0.74
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE
A,B2G970.7
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE
A,B2GVJ0.7
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM
A,B2JEY0.7
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM
A,B2JEZ0.7
CLQN4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-
DIETHYL-PENTANE-1,4-DIAMINE
A1CET0.75
8STN-(4-chlorophenyl)-2-[(pyridin-
4-ylmethyl)amino]benzamide
A3HNG0.77
MIB(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-
3-EN-2-ONE
A1ZS50.72
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE
A,B1FN20.7
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE
A,B1FN10.7
QNC2-CARBONYLQUINOLINEA,B1MTB0.82
QNC2-CARBONYLQUINOLINEA,B2FGV0.82
QNC2-CARBONYLQUINOLINEI1IVQ0.82
QNC2-CARBONYLQUINOLINEA,B2FGU0.82
QNC2-CARBONYLQUINOLINEA1JLD0.82
QNC2-CARBONYLQUINOLINEA,B1HXB0.82
238A2PRH0.72
SN74-[4-[2-AMINO-4-[4,6-(N-METHYLQUINOLINIUM)AMINO]BENZAMIDO]ANILINO]-
N-METHYLPYRIDINIUM MESYLATE
A328D0.7
7AD9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE-
4-CARBOXAMIDE
A,B1RQY0.7
EPJEPIBATIDINEA,B,C,D,E2BYQ0.7
5IQISOQUINOLIN-5-AMINEA,B2F2T0.73
ISQISOQUINOLINEA1GDK0.73
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.73
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.72
CNQ3-(4-CHLOROPHENYL)QUINOXALINE-5-
CARBOXAMIDE
A,B,C,D1WOK0.82