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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03189550

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2WHQ0.75
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2WHP0.75
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2GYU0.75
BC32-amino-7-(pyridin-3-ylmethyl)-
3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-
4-one		A,B,C3DJF0.71
MYTMETYRAPONEA1PHG0.82
MYTMETYRAPONEA1W0G0.82
NA9N-(CARBOXYMETHYL)-3-CYCLOHEXYL-
D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN-
3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDE		H,P2A2X0.71
14C2-(2-chloropyridin-4-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione		A3C060.7
14C2-(2-chloropyridin-4-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione		A3C0A0.7
8STN-(4-chlorophenyl)-2-[(pyridin-
4-ylmethyl)amino]benzamide		A3HNG0.76
BDCBIS-(9-OCTYLAMINO(2-DIMETHYLAMINOETHYL)ACRIDINE-
4-CARBOXAMIDE		A,B1K2L0.72
SN61-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUMA,B144D0.77
QUI2-CARBOXYQUINOXALINEA1PFE0.71
QUI2-CARBOXYQUINOXALINEA,B2DA80.71
QUI2-CARBOXYQUINOXALINEA,C,E,G2ADW0.71
QUI2-CARBOXYQUINOXALINEA1VS20.71
QUI2-CARBOXYQUINOXALINEA1XVN0.71
QUI2-CARBOXYQUINOXALINEA,B185D0.71
QUI2-CARBOXYQUINOXALINEA1XVK0.71
QUI2-CARBOXYQUINOXALINEA,C1XVR0.71
QUI2-CARBOXYQUINOXALINEA,B3GO30.71
AGE(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-
1H-pyrrol-2-yl]prop-2-enamide		A,B,C3F070.79
OQB4-OXO-3-[(6-{[4-(QUINOXALIN-2-YLAMINO)-
BENZOYLAMINO]-METHYL}-PYRIDINE-
3-CARBONYL)-AMINO]-BUTYRIC ACID		A1RWW0.7
T42MORPHOLINO-DIPHENYLALANINE-METHOXYPROPYLBORONIC ACIDH,I1AI80.71
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B,C2W2I0.7
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA2GKL0.7
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2VD70.7
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2JIG0.7
GEQ5-{[4-(9H-FLUOREN-9-YL)PIPERAZIN-
1-YL]CARBONYL}-1H-INDOLE		A,B,C,D,E,F1P440.7
IQZ(12bS)-1,2,3,4,12,12b-hexahydroindolo[2,3-
a]quinolizin-7(6H)-one		A1S1J0.73
K274-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-
1-yl}propyl)pyridinium		A,B2WHR0.72
LA1(2R)-2-[3-ISOBUTYL-2,5-DIOXO-4-
(QUINOLIN-3-YLMETHYL)-1,4-DIAZEPAN-
1-YL]-N-METHYL-3-(2-NAPHTHYL)PROPANAMIDE		A,B1XUO0.72
CNQ3-(4-CHLOROPHENYL)QUINOXALINE-5-
CARBOXAMIDE		A,B,C,D1WOK0.77
PM21-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN-
3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE		A,B,C,D2BM20.78
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE		A,B2G970.8
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE		A,B2GVJ0.8
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B,C,D1W6F0.72
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2V2E0.72
ISZ4-(DIAZENYLCARBONYL)PYRIDINEX2VCF0.72
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCS0.72
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCN0.72
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B1XR30.72
TTR9-ACETYL-2,3,4,9-TETRAHYDRO-1H-
CARBAZOL-1-ONE		A2D820.71
4QB3-{2-ETHYL-6-[4-(QUINOXALIN-2-YLAMINO)-
BENZOYLAMINO]-HEXANOYLAMINO}-4-
OXO-BUTYRIC ACID		A1RWN0.71
BO2N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-
N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE		2,H,K,N,V,Y2F160.76
DA66-BROMO-9-AMINO-N-ETHYL(DIAMINOMETHYL)ACRIDINE-
4-CARBOXAMIDE		A366D0.71
BMSA,B1DKF0.7
LG26-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-
TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-
3-CARBOXYLIC ACID		A,B,C,D1H9U0.75
WACN-{3-[(12bS)-7-oxo-1,3,4,6,7,12b-
hexahydroindolo[2,3-a]quinolizin-
12(2H)-yl]propyl}propane-2-sulfonamide		B1S1S0.71
F102-[2-(2-FLUOROPHENYL)PYRIDIN-4-
YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-
C]PYRIDIN-4-ONE		X2P3G0.75
A4C9,9'-(HEXANE-1,6-DIYLDIIMINO)BIS{N-
[2-(DIMETHYLAMINO)ETHYL]ACRIDINE-
4-CARBOXAMIDE}		A2GWA0.72
A4C9,9'-(HEXANE-1,6-DIYLDIIMINO)BIS{N-
[2-(DIMETHYLAMINO)ETHYL]ACRIDINE-
4-CARBOXAMIDE}		A,B2GB90.72
IHZ5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-
3-carboxamide		A3DKO0.76
A1T5-PENTYL-N-{[4'-(PIPERIDIN-1-YLCARBONYL)BIPHENYL-
4-YL]METHYL}-N-[1-(PYRIDIN-2-YLMETHYL)PIPERIDIN-
4-YL]PYRIDINE-2-CARBOXAMIDE		A2IGX0.78
NIONICOTINIC ACIDA1JHQ0.7
NIONICOTINIC ACIDA1L5L0.7
NIONICOTINIC ACIDA2F7F0.7
NIONICOTINIC ACIDA1L5K0.7
NIONICOTINIC ACIDA1JHY0.7
NIONICOTINIC ACIDA,B1FSL0.7
NIONICOTINIC ACIDA1L5M0.7
NIONICOTINIC ACIDA1LH60.7
NIONICOTINIC ACIDA1JHO0.7
NIONICOTINIC ACIDA3CI80.7
NIONICOTINIC ACIDA,B,C,D1ICU0.7
NIONICOTINIC ACIDA,B,C,D,E,F,
G,H		3HRD0.7
NIONICOTINIC ACIDA1JHA0.7
NIONICOTINIC ACIDA1JHV0.7
NIONICOTINIC ACIDA1L4N0.7
NIONICOTINIC ACIDA2LH60.7
NIONICOTINIC ACIDA1D0V0.7
NIONICOTINIC ACIDA,B,C,D1ICV0.7
NIONICOTINIC ACIDA,B1ICR0.7
NIONICOTINIC ACIDA1JHR0.7
NCANICOTINAMIDEA,B2E5D0.77
NCANICOTINAMIDEA,B,C,D2Z770.77
NCANICOTINAMIDEA,B1DMA0.77
NCANICOTINAMIDEA,B1ISM0.77
NCANICOTINAMIDEA,B1YC50.77
NCANICOTINAMIDEA2ZB70.77
NCANICOTINAMIDEA,B,C,D,E,F,
G,H		1R150.77
NCANICOTINAMIDEA,B2QQG0.77
NCANICOTINAMIDEA2OTV0.77
NCANICOTINAMIDEA2QHF0.77
NCANICOTINAMIDEA,B,C,D2C8A0.77
NCANICOTINAMIDEA,B2HJH0.77
NCANICOTINAMIDEA2A150.77
NCANICOTINAMIDEA2R6V0.77
NCANICOTINAMIDEA,B1ISI0.77
NCANICOTINAMIDEA,D,E2R9J0.77
NCANICOTINAMIDEA2H4J0.77
NCANICOTINAMIDEA,B2OD90.77
NCANICOTINAMIDEA,B,C,D,E1YC20.77
NCANICOTINAMIDEA,B3DZG0.77
NCANICOTINAMIDEA1OJU0.77
QNC2-CARBONYLQUINOLINEA,B1MTB0.77
QNC2-CARBONYLQUINOLINEA,B2FGV0.77
QNC2-CARBONYLQUINOLINEI1IVQ0.77
QNC2-CARBONYLQUINOLINEA,B2FGU0.77
QNC2-CARBONYLQUINOLINEA1JLD0.77
QNC2-CARBONYLQUINOLINEA,B1HXB0.77
G444-({[4-(3-METHYLBENZOYL)PYRIDIN-
2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE		C,D2PKS0.74
DA75-FLUORO-9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE		A1DL80.73
P4O2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-
1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-
C]PYRIDIN-4-ONE		A2JBO0.75
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		2JBP0.75
7933-{[(1R)-1-phenylethyl]amino}-4-
(pyridin-4-ylamino)cyclobut-3-ene-
1,2-dione		A3FPM0.77
34Q(3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-
1-(quinoxalin-2-ylcarbonyl)pyrrolidin-
3-amine		A2RIP0.73
9AC9-ACRIDINECARBONYLA,B,G,J,K,L,M1G3X0.75
C48N1-(1-DIMETHYLCARBAMOYL-2-PHENYL-
ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL-
ETHYL)-SUCCINAMIDE		A1CVZ0.78
CDO2-((R)-1-((S)-2-(N-(6-CARBAMIMIDOYLPYRIDIN-
3-YL)METHYLCARBAMOYL)-2H-PYRROL-
1(5H)-YL)-3-CYCLOHEXYL-1-OXOPROPAN-
2-YLAMINO)ACETIC ACID		H2ANM0.71
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE		A,B1FN20.77
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE		A,B1FN10.77
PY35-[AMINO(IMINO)METHYL]-2-[({[6-
[3-AMINO-5-({[(1R)-1-METHYLPROPYL]AMINO}CARBONYL)PHENYL]-
3-(ISOPROPYLAMINO)-2-OXOPYRAZIN-
1(2H)-YL]ACETYL}AMINO)METHYL]-N-
PYRIDIN-4-YLBENZAMIDE		H,L1Z6J0.7
5IQISOQUINOLIN-5-AMINEA,B2F2T0.72
ISQISOQUINOLINEA1GDK0.72
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid		A,B2VYA0.74
PRCN-[4-METHYL-3-[[4-(3-PYRIDINYL)-
2-PYRIMIDINYL]AMINO]PHENYL]-3-PYRIDINECARBOXAMIDE		A,B1FPU0.71
A2TN-[1-(3-METHYLBUTYL)PIPERIDIN-4-
YL]-N-{4-[METHYL(PYRIDIN-4-YL)AMINO]BENZYL}-
4-PENTYLBENZAMIDE		A,B2IGY0.76
NTMQUINOLINIC ACIDA3C2O0.74
NTMQUINOLINIC ACIDA,B1QAP0.74
NTMQUINOLINIC ACIDA,B,C,D,E,F1QPQ0.74
NTMQUINOLINIC ACIDA,B,C2B7N0.74
4643-[5-({5-[(AMINOCARBONYL)AMINO]-
2-OXO-2H-INDOL-3-YL}METHYL)-1H-
PYRROL-3-YL]-N-(2-PIPERIDIN-1-YLETHYL)BENZAMIDE		A2PE20.71
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
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A2GNF0.73
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A2H9V0.73
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A,B2ETR0.73
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A2GNJ0.73
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A1Q8T0.73
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.72
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE		A,B2ET00.74
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.74
I3A1H-INDOLE-3-CARBALDEHYDEA,B,C,D3BWL0.7
I3A1H-INDOLE-3-CARBALDEHYDEA,B2OU30.7
D3EN-cyclopropyl-N-(trans-4-pyridin-
3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-
1-hydroxy-1-methylethyl]benzamide		A,B,C,D3D3E0.72
PPX[PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-
4-YLAMINO)-ETHYL]-AMINE		E,H1QBV0.73
C92N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-
4-methyl-benzene-1,3-dicarboxamide		A,B3CPB0.71
N12N-[(1R)-2-[(1-{[({6-[AMINO(IMINO)METHYL]PYRIDIN-
3-YL}METHYL)AMINO]CARBONYL}CYCLOPENTYL)AMINO]-
1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]GLYCINE		H,P2ANK0.71
B141-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-
DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-
QUINAZOLINE]-4'-AMINE		A,B3E7T0.73
7AD9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE-
4-CARBOXAMIDE		A,B1RQY0.77
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM		A,B2JEY0.75
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM		A,B2JEZ0.75
DRC9-AMINO-N-[2-(4-MORPHOLINYL)ETHYL]-
4-ACRIDINECARBOXAMIDE		A1KCI0.73
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.84
PHN1,10-PHENANTHROLINEA1LIH0.71
PHN1,10-PHENANTHROLINEA2LIG0.71
PHN1,10-PHENANTHROLINEA,B2FU70.71
SN74-[4-[2-AMINO-4-[4,6-(N-METHYLQUINOLINIUM)AMINO]BENZAMIDO]ANILINO]-
N-METHYLPYRIDINIUM MESYLATE		A328D0.78
311(3,3-dimethylpiperidin-1-yl)(6-
(3-fluoro-4-methylphenyl)pyridin-
2-yl)methanone		A,B,D,E3CH60.76
PB5N,N'-BIS(PYRIDIN-3-YLMETHYL)PYRIMIDINE-
4,6-DICARBOXAMIDE		A,B1XUR0.7
PB3N,N'-BIS(3-METHYLBENZYL)PYRIMIDINE-
4,6-DICARBOXAMIDE		A,B1XUC0.7
FXVMETHYL-3-(4'-N-OXOPYRIDYLPHENOYL)-
3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE		A1KSN0.71
CIIN-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamideA2W0A0.73
9AD9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE		A465D0.76
9AD9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE		A452D0.76