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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03219788

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B,C2W2I0.72
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA2GKL0.72
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2VD70.72
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2JIG0.72
PHN1,10-PHENANTHROLINEA1LIH0.75
PHN1,10-PHENANTHROLINEA2LIG0.75
PHN1,10-PHENANTHROLINEA,B2FU70.75
DEQDEQUALINIUMA,B,D,E1JT60.71
DEQDEQUALINIUMA,B,D,E3BR20.71
DEQDEQUALINIUMA1OYD0.71
DEQDEQUALINIUMA,B,D,E3BT90.71
DEQDEQUALINIUMA,B,D,E3BTJ0.71
DEQDEQUALINIUMA,B,D,E3BR10.71
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE		A,B2G970.76
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE		A,B2GVJ0.76
THATACRINEA,B2AOW0.71
THATACRINEA,B,C,D,E,F1MX10.71
THATACRINEA,B2AOX0.71
THATACRINEA1ACJ0.71
SN61-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUMA,B144D0.78
8STN-(4-chlorophenyl)-2-[(pyridin-
4-ylmethyl)amino]benzamide		A3HNG0.71
PRCN-[4-METHYL-3-[[4-(3-PYRIDINYL)-
2-PYRIMIDINYL]AMINO]PHENYL]-3-PYRIDINECARBOXAMIDE		A,B1FPU0.72
A2TN-[1-(3-METHYLBUTYL)PIPERIDIN-4-
YL]-N-{4-[METHYL(PYRIDIN-4-YL)AMINO]BENZYL}-
4-PENTYLBENZAMIDE		A,B2IGY0.78
BDCBIS-(9-OCTYLAMINO(2-DIMETHYLAMINOETHYL)ACRIDINE-
4-CARBOXAMIDE		A,B1K2L0.7
9AD9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE		A465D0.73
9AD9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE		A452D0.73
IQZ(12bS)-1,2,3,4,12,12b-hexahydroindolo[2,3-
a]quinolizin-7(6H)-one		A1S1J0.73
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.7
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B,C,D1W6F0.75
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2V2E0.75
ISZ4-(DIAZENYLCARBONYL)PYRIDINEX2VCF0.75
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCS0.75
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCN0.75
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B1XR30.75
2423-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-
N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE		A,B2OFV0.71
CNQ3-(4-CHLOROPHENYL)QUINOXALINE-5-
CARBOXAMIDE		A,B,C,D1WOK0.72
PYA3-(1,10-PHENANTHROL-2-YL)-L-ALANINEA1HCW0.71
F102-[2-(2-FLUOROPHENYL)PYRIDIN-4-
YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-
C]PYRIDIN-4-ONE		X2P3G0.73
PM21-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN-
3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE		A,B,C,D2BM20.74
TTR9-ACETYL-2,3,4,9-TETRAHYDRO-1H-
CARBAZOL-1-ONE		A2D820.71
QNC2-CARBONYLQUINOLINEA,B1MTB0.78
QNC2-CARBONYLQUINOLINEA,B2FGV0.78
QNC2-CARBONYLQUINOLINEI1IVQ0.78
QNC2-CARBONYLQUINOLINEA,B2FGU0.78
QNC2-CARBONYLQUINOLINEA1JLD0.78
QNC2-CARBONYLQUINOLINEA,B1HXB0.78
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.71
311(3,3-dimethylpiperidin-1-yl)(6-
(3-fluoro-4-methylphenyl)pyridin-
2-yl)methanone		A,B,D,E3CH60.77
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.82
SN74-[4-[2-AMINO-4-[4,6-(N-METHYLQUINOLINIUM)AMINO]BENZAMIDO]ANILINO]-
N-METHYLPYRIDINIUM MESYLATE		A328D0.76
19AN,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-
3-YL)-1H-PYRROLE-2-CARBOXAMIDE		A2OJG0.71
A4C9,9'-(HEXANE-1,6-DIYLDIIMINO)BIS{N-
[2-(DIMETHYLAMINO)ETHYL]ACRIDINE-
4-CARBOXAMIDE}		A2GWA0.7
A4C9,9'-(HEXANE-1,6-DIYLDIIMINO)BIS{N-
[2-(DIMETHYLAMINO)ETHYL]ACRIDINE-
4-CARBOXAMIDE}		A,B2GB90.7
MILMILRINONEA,B1TLM0.73
P4O2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-
1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-
C]PYRIDIN-4-ONE		A2JBO0.73
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		2JBP0.73
A1T5-PENTYL-N-{[4'-(PIPERIDIN-1-YLCARBONYL)BIPHENYL-
4-YL]METHYL}-N-[1-(PYRIDIN-2-YLMETHYL)PIPERIDIN-
4-YL]PYRIDINE-2-CARBOXAMIDE		A2IGX0.78
PY14-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-
YL)QUINOLINE		A1PY50.7
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.71
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.71
2862-ethenyl-1-methylpyridiniumX2RC20.71
RAJN-{3-[3-(DIMETHYLAMINO)PROPYL]-
5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-
3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]BENZAMIDE		X2OO80.7
RAJN-{3-[3-(DIMETHYLAMINO)PROPYL]-
5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-
3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]BENZAMIDE		A3BE20.7
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2WHQ0.77
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2WHP0.77
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2GYU0.77
14C2-(2-chloropyridin-4-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione		A3C060.74
14C2-(2-chloropyridin-4-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione		A3C0A0.74
7933-{[(1R)-1-phenylethyl]amino}-4-
(pyridin-4-ylamino)cyclobut-3-ene-
1,2-dione		A3FPM0.77
9AC9-ACRIDINECARBONYLA,B,G,J,K,L,M1G3X0.75
K274-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-
1-yl}propyl)pyridinium		A,B2WHR0.76
G444-({[4-(3-METHYLBENZOYL)PYRIDIN-
2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE		C,D2PKS0.71
7AD9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE-
4-CARBOXAMIDE		A,B1RQY0.74
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM		A,B2JEY0.78
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM		A,B2JEZ0.78
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid		A,B2VYA0.74
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.76
MYTMETYRAPONEA1PHG0.85
MYTMETYRAPONEA1W0G0.85
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE		A2AAQ0.71
CM9CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-
1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE		A2W090.7
PPX[PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-
4-YLAMINO)-ETHYL]-AMINE		E,H1QBV0.72
MUHN-{4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-
2-YL)AMINO]PHENYL}-3-(TRIFLUOROMETHYL)BENZAMIDE		A2OSC0.71
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE		A,B2ET00.74
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T		1UW60.73
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.73
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.73
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A2GNF0.75
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A2H9V0.75
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A,B2ETR0.75
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A2GNJ0.75
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A1Q8T0.75
BC32-amino-7-(pyridin-3-ylmethyl)-
3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-
4-one		A,B,C3DJF0.72
PB5N,N'-BIS(PYRIDIN-3-YLMETHYL)PYRIMIDINE-
4,6-DICARBOXAMIDE		A,B1XUR0.73
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.78
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.73
NCANICOTINAMIDEA,B2E5D0.76
NCANICOTINAMIDEA,B,C,D2Z770.76
NCANICOTINAMIDEA,B1DMA0.76
NCANICOTINAMIDEA,B1ISM0.76
NCANICOTINAMIDEA,B1YC50.76
NCANICOTINAMIDEA2ZB70.76
NCANICOTINAMIDEA,B,C,D,E,F,
G,H		1R150.76
NCANICOTINAMIDEA,B2QQG0.76
NCANICOTINAMIDEA2OTV0.76
NCANICOTINAMIDEA2QHF0.76
NCANICOTINAMIDEA,B,C,D2C8A0.76
NCANICOTINAMIDEA,B2HJH0.76
NCANICOTINAMIDEA2A150.76
NCANICOTINAMIDEA2R6V0.76
NCANICOTINAMIDEA,B1ISI0.76
NCANICOTINAMIDEA,D,E2R9J0.76
NCANICOTINAMIDEA2H4J0.76
NCANICOTINAMIDEA,B2OD90.76
NCANICOTINAMIDEA,B,C,D,E1YC20.76
NCANICOTINAMIDEA,B3DZG0.76
NCANICOTINAMIDEA1OJU0.76
MPZ4-[(4-METHYLPIPERAZIN-1-YL)METHYL]-
N-{3-[(4-PYRIDIN-3-YLPYRIMIDIN-
2-YL)AMINO]PHENYL}BENZAMIDE		A1Y570.72
CIIN-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamideA2W0A0.74
3MP3-METHYLPYRIDINEA1EUB0.71
3MP3-METHYLPYRIDINEA1BM60.71
BO2N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-
N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE		2,H,K,N,V,Y2F160.7
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE		A,B1FN20.74
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE		A,B1FN10.74
MIB(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-
3-EN-2-ONE		A1ZS50.75
5IQISOQUINOLIN-5-AMINEA,B2F2T0.74
WACN-{3-[(12bS)-7-oxo-1,3,4,6,7,12b-
hexahydroindolo[2,3-a]quinolizin-
12(2H)-yl]propyl}propane-2-sulfonamide		B1S1S0.7
NTMQUINOLINIC ACIDA3C2O0.7
NTMQUINOLINIC ACIDA,B1QAP0.7
NTMQUINOLINIC ACIDA,B,C,D,E,F1QPQ0.7
NTMQUINOLINIC ACIDA,B,C2B7N0.7
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.71
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.71
CLQN4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-
DIETHYL-PENTANE-1,4-DIAMINE		A1CET0.7
ISQISOQUINOLINEA1GDK0.75
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE		A,B,C,D2HYY0.71
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE		A,B1IEP0.71
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE		A,B1OPJ0.71
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE		A1T460.71
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE		A3GVU0.71
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE		A2OIQ0.71
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE		A3FW10.71
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE		A2PL00.71
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE		A1XBB0.71
PB3N,N'-BIS(3-METHYLBENZYL)PYRIMIDINE-
4,6-DICARBOXAMIDE		A,B1XUC0.7
C48N1-(1-DIMETHYLCARBAMOYL-2-PHENYL-
ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL-
ETHYL)-SUCCINAMIDE		A1CVZ0.74
AGE(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-
1H-pyrrol-2-yl]prop-2-enamide		A,B,C3F070.74
1SQISOQUINOLIN-1-AMINEA2OHK0.7
PMC3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1I430.71