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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00255789

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
C532-IMINO-5-(1-PYRIDIN-2-YL-METH-
(E)-YLIDENE)-1,3-THIAZOLIDIN-4-
ONE
A2V0D0.7
F102-[2-(2-FLUOROPHENYL)PYRIDIN-4-
YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-
C]PYRIDIN-4-ONE
X2P3G0.7
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.79
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.79
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.79
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.71
7933-{[(1R)-1-phenylethyl]amino}-4-
(pyridin-4-ylamino)cyclobut-3-ene-
1,2-dione
A3FPM0.7
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.71
MILMILRINONEA,B1TLM0.73
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
LIQN-{(1S)-2-({(1S,2R)-1-(3,5-DIFLUOROBENZYL)-
3-[(3-ETHYLBENZYL)AMINO]-2-HYDROXYPROPYL}AMINO)-
2-OXO-1-[(PENTYLSULFONYL)METHYL]ETHYL}NICOTINAMIDE
A2HM10.71
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
BRT5-BROMONICOTINAMIDEA,B1GXZ0.8
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
MYTMETYRAPONEA1PHG0.77
MYTMETYRAPONEA1W0G0.77
I11[[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN-
4-YL-AMINOMETHYL]ALANYL]PIPERIDINE
H1UVS0.7
NA3(3S)-3-{[(5-BROMOPYRIDIN-3-YL)CARBONYL]AMINO}-
4-OXOBUTANOIC ACID
A1RE10.71
AGE(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-
1H-pyrrol-2-yl]prop-2-enamide
A,B,C3F070.73
3MP3-METHYLPYRIDINEA1EUB0.71
3MP3-METHYLPYRIDINEA1BM60.71
IHZ5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-
3-carboxamide
A3DKO0.72
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B,C,D1W6F0.79
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2V2E0.79
ISZ4-(DIAZENYLCARBONYL)PYRIDINEX2VCF0.79
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCS0.79
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCN0.79
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B1XR30.79
K274-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-
1-yl}propyl)pyridinium
A,B2WHR0.82