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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00492183

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AGE(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-
1H-pyrrol-2-yl]prop-2-enamide
A,B,C3F070.71
BDEN'-[(1E)-(3,5-DIBROMO-2,4-DIHYDROXYPHENYL)METHYLENE]NICOTINOHYDRAZIDEA,B,C,D,E,F2GLP0.76
PM21-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN-
3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE
A,B,C,D2BM20.72
K274-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-
1-yl}propyl)pyridinium
A,B2WHR0.78
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM
A,B2JEY0.76
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM
A,B2JEZ0.76
8STN-(4-chlorophenyl)-2-[(pyridin-
4-ylmethyl)amino]benzamide
A3HNG0.71
U73N-(5-ISOPROPYL-THIAZOL-2-YL)-2-
PYRIDIN-3-YL-ACETAMIDE
A2BTR0.71
5IQISOQUINOLIN-5-AMINEA,B2F2T0.71
ISQISOQUINOLINEA1GDK0.71
A2TN-[1-(3-METHYLBUTYL)PIPERIDIN-4-
YL]-N-{4-[METHYL(PYRIDIN-4-YL)AMINO]BENZYL}-
4-PENTYLBENZAMIDE
A,B2IGY0.7
7933-{[(1R)-1-phenylethyl]amino}-4-
(pyridin-4-ylamino)cyclobut-3-ene-
1,2-dione
A3FPM0.7
NCANICOTINAMIDEA,B2E5D0.78
NCANICOTINAMIDEA,B,C,D2Z770.78
NCANICOTINAMIDEA,B1DMA0.78
NCANICOTINAMIDEA,B1ISM0.78
NCANICOTINAMIDEA,B1YC50.78
NCANICOTINAMIDEA2ZB70.78
NCANICOTINAMIDEA,B,C,D,E,F,
G,H
1R150.78
NCANICOTINAMIDEA,B2QQG0.78
NCANICOTINAMIDEA2OTV0.78
NCANICOTINAMIDEA2QHF0.78
NCANICOTINAMIDEA,B,C,D2C8A0.78
NCANICOTINAMIDEA,B2HJH0.78
NCANICOTINAMIDEA2A150.78
NCANICOTINAMIDEA2R6V0.78
NCANICOTINAMIDEA,B1ISI0.78
NCANICOTINAMIDEA,D,E2R9J0.78
NCANICOTINAMIDEA2H4J0.78
NCANICOTINAMIDEA,B2OD90.78
NCANICOTINAMIDEA,B,C,D,E1YC20.78
NCANICOTINAMIDEA,B3DZG0.78
NCANICOTINAMIDEA1OJU0.78
NA3(3S)-3-{[(5-BROMOPYRIDIN-3-YL)CARBONYL]AMINO}-
4-OXOBUTANOIC ACID
A1RE10.7
MILMILRINONEA,B1TLM0.74
IHZ5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-
3-carboxamide
A3DKO0.71
BRT5-BROMONICOTINAMIDEA,B1GXZ0.82
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.73
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE
A,B2G970.78
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE
A,B2GVJ0.78
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.77
MYTMETYRAPONEA1PHG0.75
MYTMETYRAPONEA1W0G0.75
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2WHQ0.76
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2WHP0.76
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2GYU0.76
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B,C,D1W6F0.81
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2V2E0.81
ISZ4-(DIAZENYLCARBONYL)PYRIDINEX2VCF0.81
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCS0.81
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCN0.81
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B1XR30.81
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.72
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A2GNF0.7
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A2H9V0.7
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A,B2ETR0.7
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A2GNJ0.7
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A1Q8T0.7