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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00329186

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
AGE(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-
1H-pyrrol-2-yl]prop-2-enamide
A,B,C3F070.71
BC32-amino-7-(pyridin-3-ylmethyl)-
3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-
4-one
A,B,C3DJF0.71
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
QNC2-CARBONYLQUINOLINEA,B1MTB0.73
QNC2-CARBONYLQUINOLINEA,B2FGV0.73
QNC2-CARBONYLQUINOLINEI1IVQ0.73
QNC2-CARBONYLQUINOLINEA,B2FGU0.73
QNC2-CARBONYLQUINOLINEA1JLD0.73
QNC2-CARBONYLQUINOLINEA,B1HXB0.73
4AP4-AMINOPYRIDINEA1AEG0.71
2755-amino-1,2-dimethylpyridiniumX2RBW0.72
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B,C,D1W6F0.73
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2V2E0.73
ISZ4-(DIAZENYLCARBONYL)PYRIDINEX2VCF0.73
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCS0.73
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCN0.73
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B1XR30.73
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.73
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.73
C532-IMINO-5-(1-PYRIDIN-2-YL-METH-
(E)-YLIDENE)-1,3-THIAZOLIDIN-4-
ONE
A2V0D0.72
I3A1H-INDOLE-3-CARBALDEHYDEA,B,C,D3BWL0.71
I3A1H-INDOLE-3-CARBALDEHYDEA,B2OU30.71
7933-{[(1R)-1-phenylethyl]amino}-4-
(pyridin-4-ylamino)cyclobut-3-ene-
1,2-dione
A3FPM0.7
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.72
APY2-AMINOMETHYL-PYRIDINEI1IVP0.72
34Q(3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-
1-(quinoxalin-2-ylcarbonyl)pyrrolidin-
3-amine
A2RIP0.71
DMYDISTAMYCIN AA217D0.75
DMYDISTAMYCIN AA1K2Z0.75
DMYDISTAMYCIN AA,B,E,F2JT70.75
DMYDISTAMYCIN AA,B267D0.75
DMYDISTAMYCIN AA306D0.75
DMYDISTAMYCIN AA304D0.75
DMYDISTAMYCIN AA305D0.75
DMYDISTAMYCIN AA1JUX0.75
DMYDISTAMYCIN AA2DND0.75
DMYDISTAMYCIN AA,B,C,D378D0.75
DMYDISTAMYCIN AB1JTL0.75
DMYDISTAMYCIN AA159D0.75
DMYDISTAMYCIN AA216D0.75
PYCPYRROLE-2-CARBOXYLATEA1W620.73
PYCPYRROLE-2-CARBOXYLATEA,B1L9D0.73
PYCPYRROLE-2-CARBOXYLATEA,B2CWH0.73
PYCPYRROLE-2-CARBOXYLATEA,B1W610.73
PYCPYRROLE-2-CARBOXYLATEA,B1ELI0.73
K274-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-
1-yl}propyl)pyridinium
A,B2WHR0.73
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
1UW60.71
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.71
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.71
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.71
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.71
ILTMONOIMIDAZOLE LEXITROPSINA1LEY0.7
ILTMONOIMIDAZOLE LEXITROPSINB1LEX0.7
MIB(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-
3-EN-2-ONE
A1ZS50.72
PPX[PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-
4-YLAMINO)-ETHYL]-AMINE
E,H1QBV0.72
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDA,D,E,G,I,J1S320.74
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDD,I,J1M180.74
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDE,I,J1M1A0.74
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDE,I,J1M190.74
2862-ethenyl-1-methylpyridiniumX2RC20.75
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.74
9HX9-DEAZAHYPOXANTHINEA,B,C1I800.74
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
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.74
9DG9-DEAZAGUANINEA,B,C,D,E1Q2S0.73
9DG9-DEAZAGUANINEA1IL40.73
9DG9-DEAZAGUANINEA,C1FSG0.73
9DG9-DEAZAGUANINEA,B,C,D1Q2R0.73
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM
A,B2JEY0.74
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM
A,B2JEZ0.74
MYTMETYRAPONEA1PHG0.7
MYTMETYRAPONEA1W0G0.7