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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01590809

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
R88(4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMINO]BUT-
2-ENYL}OXY)PHENYL]METHANONE
A,B,C1H360.83
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.72
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.72
6975-HYDROXY-2-(4-HYDROXYPHENYL)-1-
BENZOFURAN-7-CARBONITRILE
A,B1X760.71
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.72
ANN4-METHOXYBENZOIC ACIDA2B960.75
ANN4-METHOXYBENZOIC ACIDA2QUE0.75
ANN4-METHOXYBENZOIC ACIDA1SV30.75
ANN4-METHOXYBENZOIC ACIDA1O2E0.75
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.75
R02{4-[((1S,2S)-2-{[ALLYL(CYCLOPROPYL)AMINO]METHYL}CYCLOPROPYL)METHOXY]PHENYL}(4-
BROMOPHENYL)METHANONE
A,B,C1H370.78
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.75
3MB3-METHOXYBENZAMIDEA3PAX0.71
OEF3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACIDA2J4A0.71
U013-[1-(4-BROMO-PHENYL)-2-METHYL-
PROPYL]-4-HYDROXY-CHROMEN-2-ONE
A1UPJ0.74
244[5-HYDROXY-2-(4-HYDROXYPHENYL)-
1-BENZOFURAN-7-YL]ACETONITRILE
A,B1X780.71
244[5-HYDROXY-2-(4-HYDROXYPHENYL)-
1-BENZOFURAN-7-YL]ACETONITRILE
A,B1X7E0.71
GENGENISTEINA1QKM0.71
GENGENISTEINA,B1X7J0.71
GENGENISTEINA,B2QA80.71
GENGENISTEINA1X7R0.71
AC6P-HYDROXYACETOPHENONEA2GQ80.72
AC6P-HYDROXYACETOPHENONEX2O480.72
QSO5,7-dihydroxy-3-(4-methoxyphenyl)-
4H-chromen-4-one
A,B2QYO0.72
V554-hydroxy-3-methoxybenzaldehydeB,D,E,F2VSS0.7
V554-hydroxy-3-methoxybenzaldehydeA,B,D,E,F2VSU0.7
BVL(2E)-1-[2-hydroxy-4-methoxy-5-(3-
methylbut-2-en-1-yl)phenyl]-3-(4-
hydroxyphenyl)prop-2-en-1-one
A2ZBH0.74
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE
A,B1JEP0.7
FL9A,B1THC0.71
R71[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)-
2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE
A1W6J0.83
R71[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)-
2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE
A,B,C1GSZ0.83
7893-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-
1H-INDEN-1-ONE
A,B1ZAF0.72
SB82-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDEA2AIA0.7
R17ALLYL-{4-[3-(4-BROMO-PHENYL)-BENZOFURAN-
6-YLOXY]-BUT-2-ENYL}-METHYL-AMINE
A,B,C1O6Q0.73
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.74
HMO4'-HYDROXY-7-METHOXYISOFLAVONEA1FP20.72
R19ALLYL-{6-[3-(4-BROMO-PHENYL)-BENZOFURAN-
6-YLOXY]-HEXYL-}-METHYL-AMIN
A,B,C1O6R0.71
SAK(2S)-5-hydroxy-2-(4-hydroxyphenyl)-
7-methoxy-2,3-dihydro-4H-chromen-
4-one
A,B,C,D,E,F3D040.7
FL86,4'-DIHYDROXY-3-METHYL-3',5'-DIBROMOFLAVONEB,C1KGJ0.74