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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02129389

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NCANICOTINAMIDEA,B2E5D0.75
NCANICOTINAMIDEA,B,C,D2Z770.75
NCANICOTINAMIDEA,B1DMA0.75
NCANICOTINAMIDEA,B1ISM0.75
NCANICOTINAMIDEA,B1YC50.75
NCANICOTINAMIDEA2ZB70.75
NCANICOTINAMIDEA,B,C,D,E,F,
G,H		1R150.75
NCANICOTINAMIDEA,B2QQG0.75
NCANICOTINAMIDEA2OTV0.75
NCANICOTINAMIDEA2QHF0.75
NCANICOTINAMIDEA,B,C,D2C8A0.75
NCANICOTINAMIDEA,B2HJH0.75
NCANICOTINAMIDEA2A150.75
NCANICOTINAMIDEA2R6V0.75
NCANICOTINAMIDEA,B1ISI0.75
NCANICOTINAMIDEA,D,E2R9J0.75
NCANICOTINAMIDEA2H4J0.75
NCANICOTINAMIDEA,B2OD90.75
NCANICOTINAMIDEA,B,C,D,E1YC20.75
NCANICOTINAMIDEA,B3DZG0.75
NCANICOTINAMIDEA1OJU0.75
CNQ3-(4-CHLOROPHENYL)QUINOXALINE-5-
CARBOXAMIDE		A,B,C,D1WOK0.7
C48N1-(1-DIMETHYLCARBAMOYL-2-PHENYL-
ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL-
ETHYL)-SUCCINAMIDE		A1CVZ0.76
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.74
APY2-AMINOMETHYL-PYRIDINEI1IVP0.74
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
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
MYTMETYRAPONEA1PHG0.83
MYTMETYRAPONEA1W0G0.83
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
311(3,3-dimethylpiperidin-1-yl)(6-
(3-fluoro-4-methylphenyl)pyridin-
2-yl)methanone		A,B,D,E3CH60.75
F102-[2-(2-FLUOROPHENYL)PYRIDIN-4-
YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-
C]PYRIDIN-4-ONE		X2P3G0.72
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM		A,B2JEY0.79
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM		A,B2JEZ0.79
QNC2-CARBONYLQUINOLINEA,B1MTB0.74
QNC2-CARBONYLQUINOLINEA,B2FGV0.74
QNC2-CARBONYLQUINOLINEI1IVQ0.74
QNC2-CARBONYLQUINOLINEA,B2FGU0.74
QNC2-CARBONYLQUINOLINEA1JLD0.74
QNC2-CARBONYLQUINOLINEA,B1HXB0.74
K274-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-
1-yl}propyl)pyridinium		A,B2WHR0.77
C532-IMINO-5-(1-PYRIDIN-2-YL-METH-
(E)-YLIDENE)-1,3-THIAZOLIDIN-4-
ONE		A2V0D0.72
7933-{[(1R)-1-phenylethyl]amino}-4-
(pyridin-4-ylamino)cyclobut-3-ene-
1,2-dione		A3FPM0.74
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.81
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.78
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.78
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PC20.71
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B,C,D1ARZ0.71
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PE70.71
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PES0.71
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B1C3V0.71
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B1P9L0.71
PB5N,N'-BIS(PYRIDIN-3-YLMETHYL)PYRIMIDINE-
4,6-DICARBOXAMIDE		A,B1XUR0.71
SB9HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDEP2AIE0.71
A2TN-[1-(3-METHYLBUTYL)PIPERIDIN-4-
YL]-N-{4-[METHYL(PYRIDIN-4-YL)AMINO]BENZYL}-
4-PENTYLBENZAMIDE		A,B2IGY0.73
2862-ethenyl-1-methylpyridiniumX2RC20.76
G444-({[4-(3-METHYLBENZOYL)PYRIDIN-
2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE		C,D2PKS0.71
PPX[PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-
4-YLAMINO)-ETHYL]-AMINE		E,H1QBV0.7
2755-amino-1,2-dimethylpyridiniumX2RBW0.71
SN61-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUMA,B144D0.71
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2WHQ0.8
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2WHP0.8
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2GYU0.8
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE		A2AAQ0.71
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE		A,B2G970.77
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE		A,B2GVJ0.77
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
MILMILRINONEA,B1TLM0.71
PM21-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN-
3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE		A,B,C,D2BM20.71
9AC9-ACRIDINECARBONYLA,B,G,J,K,L,M1G3X0.7
AGE(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-
1H-pyrrol-2-yl]prop-2-enamide		A,B,C3F070.75
D4GA,B,C,D2FDY0.71
A1T5-PENTYL-N-{[4'-(PIPERIDIN-1-YLCARBONYL)BIPHENYL-
4-YL]METHYL}-N-[1-(PYRIDIN-2-YLMETHYL)PIPERIDIN-
4-YL]PYRIDINE-2-CARBOXAMIDE		A2IGX0.76
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		1UW60.7
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.7
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.7
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.74
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.78
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.78
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE		A,B2ET00.72
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.72
CIIN-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamideA2W0A0.73
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B,C,D1W6F0.76
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2V2E0.76
ISZ4-(DIAZENYLCARBONYL)PYRIDINEX2VCF0.76
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCS0.76
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCN0.76
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B1XR30.76
PMC3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1I430.71