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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02323579

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RNP(1E,2R)-1-(ISOPROPYLIMINO)-3-(1-
NAPHTHYLOXY)PROPAN-2-OL
X1H460.72
TXF(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL
A,B,C,D,E2EWP0.87
AIJ(2S,3R)-3-(4-HYDROXYPHENYL)-2-(4-
{[(2S)-2-PYRROLIDIN-1-YLPROPYL]OXY}PHENYL)-
2,3-DIHYDRO-1,4-BENZOXATHIIN-6-
OL
A1XP90.71
XX72-{[(2S)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-
1,3-DIOL
A2V3R0.74
YR3(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-
2-hydroxy-3,3-dimethylbutyl]oxy}-
3-methylphenyl)propyl]-2-methylphenoxy}propane-
1,2-diol
A2ZFX0.71
SFX(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWW0.77
XX62-{[(2R)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-
1,3-DIOL
A2V3I0.74
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.73
RFX(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWV0.77
SB82-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDEA2AIA0.71
AIT(2S,3R)-3-(4-HYDROXYPHENYL)-2-(4-
{[(2R)-2-PYRROLIDIN-1-YLPROPYL]OXY}PHENYL)-
2,3-DIHYDRO-1,4-BENZOXATHIIN-6-
OL
A1XPC0.71
B76A,B2E9D0.72
I0G(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL
A,B2I0G0.72
I0G(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL
A,B,C,D2I0J0.72
2PMN-[2-(BENZHYDRYLOXY)ETHYL]-N,N-
DIMETHYLAMINE
A,B2AOT0.78
C3D(5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-
1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-OL
A2OUZ0.83
TRTFRAGMENT OF TRITON X-100A,E2I0U0.74
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.74
OHT4-HYDROXYTAMOXIFENA3ERT0.89
OHT4-HYDROXYTAMOXIFENA,B1S9Q0.89
OHT4-HYDROXYTAMOXIFENA,B1VJB0.89
OHT4-HYDROXYTAMOXIFENA,B,C,P,R2JF90.89
OHT4-HYDROXYTAMOXIFENA,B,C,D,E,F2GPV0.89
OHT4-HYDROXYTAMOXIFENA2GPU0.89
OHT4-HYDROXYTAMOXIFENA2P7Z0.89
OHT4-HYDROXYTAMOXIFENA,B2BJ40.89
OHT4-HYDROXYTAMOXIFENA,B2FSZ0.89
BS1(3-EXO)-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-
5-YLOXY)-8,8-DIMETHYL-8-AZONIABICYCLO[3.2.1]OCTANE
A,F2W8F0.71
2NIN-{2-[(4'-CYANO-1,1'-BIPHENYL-4-
YL)OXY]ETHYL}-N'-HYDROXY-N-METHYLUREA
A1ZP50.77
SNP1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-
2-PROPANOL
A1DY40.76
G24[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-
DIMETHYLPHENOXY]ACETIC ACID
A1Q4X0.72
PO1(9BETA,13ALPHA,14BETA,17ALPHA)-
2-METHOXYESTRA-1,3,5(10)-TRIENE-
3,17-DIYL DISULFAMATE
A2GD80.71
WST(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
9-OL
A,B2POG0.72
OXNOXTOXYNOL-10A1IKT0.71
OXNOXTOXYNOL-10A,B2Q320.71
OXNOXTOXYNOL-10A,B1UEH0.71
OXNOXTOXYNOL-10A,B2D4Q0.71
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.7
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.7
CM3(2R,3R,4S)-5-FLUORO-3-(4-HYDROXYPHENYL)-
4-METHYL-2-[4-(2-PIPERIDIN-1-YLETHOXY)PHENYL]CHROMAN-
6-OL
A1YIN0.75
505(2R)-1-(2,6-dimethylphenoxy)propan-
2-amine
A2VIN0.76
AIU(2S,3R)-2-(4-{2-[(3S,4S)-3,4-DIMETHYLPYRROLIDIN-
1-YL]ETHOXY}PHENYL)-3-(4-HYDROXYPHENYL)-
2,3-DIHYDRO-1,4-BENZOXATHIIN-6-
OL
A1XP60.72
DR6ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-
OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)
C,I,T1YTZ0.7
BT23-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-
BENZYL]-2-4-(2-PYRROLIDIN-1-YL-
ETHOXY)-PHENYL] -BENZO[B]THIOPHENE
B,H1D3Q0.74
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.73
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.71
CTF(17beta)-17-(cyanomethyl)-2-methoxyestra-
1(10),2,4-trien-3-yl sulfamate
A3BET0.7
AIH(2S,3R)-2-(4-{2-[(3R,4R)-3,4-DIMETHYLPYRROLIDIN-
1-YL]ETHOXY}PHENYL)-3-(4-HYDROXYPHENYL)-
2,3-DIHYDRO-1,4-BENZOXATHIIN-6-
OL
A1XP10.72
ESM1,3,5(10)-ESTRATRIEN-2,3,17-BETA-
TRIOL 2-METHYL ETHER
A1LHW0.7
DCH3-(7-DIAMINOMETHYL-NAPHTHALEN-2-
YL)-PROPIONIC ACID ETHYL ESTER
H1UVU0.72
CM4(2R,3R,4S)-3-(4-HYDROXYPHENYL)-
4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN-
6-OL
A1YIM0.79
3A3A2CGU0.7
CMZ(2S)-1-(2,5-dimethylphenoxy)-3-
morpholin-4-ylpropan-2-ol
A2OF00.76
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.7
LY22-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-
4-ONE
A1YI30.71
LY22-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-
4-ONE
A1E7V0.71
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3B3K0.7
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3D6D0.7
DPDA,B1QIW0.72
DPDA1QIV0.72
CTX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINE
A,B,C1YA40.93
GMN2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-
TRIETHYLETHANAMINIUM]
A,B1N5M0.72
TAX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINIUM
A1FJ50.89
DC8(3AS,4R,9BR)-2,2-DIFLUORO-4-(4-
HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL
A,B2Q700.7
DC8(3AS,4R,9BR)-2,2-DIFLUORO-4-(4-
HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL
A,B2Z4B0.7
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL
A,B2OP30.71
JJ3(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
6-(METHOXYMETHYL)-1,2,3,3A,4,9B-
HEXAHYDROCYCLOPENTA[C]CHROMEN-8-
OL
A,B2JJ30.71
JJ3(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
6-(METHOXYMETHYL)-1,2,3,3A,4,9B-
HEXAHYDROCYCLOPENTA[C]CHROMEN-8-
OL
A,B2QE40.71
11N1-[1'-(3-phenylacryloyl)spiro[1-
benzofuran-3,4'-piperidin]-5-yl]methanamine
A,B,C,D2ZEC0.71
EGC2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-
TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-
ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-
ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL
A,B1JP30.71
EGC2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-
TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-
ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-
ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL
A2W220.71