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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02952181

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
E4D(2S,3R)-2-(4-(2-(PIPERIDIN-1-YL)ETHOXY)PHENYL)-
2,3-DIHYDRO-3-(4-HYDROXYPHENYL)BENZO[B][1,4]OXATHIIN-
6-OL
A1SJ00.73
CM3(2R,3R,4S)-5-FLUORO-3-(4-HYDROXYPHENYL)-
4-METHYL-2-[4-(2-PIPERIDIN-1-YLETHOXY)PHENYL]CHROMAN-
6-OL
A1YIN0.8
TRTFRAGMENT OF TRITON X-100A,E2I0U0.72
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.72
5RM(5R)-5-(4-methoxy-3-propoxyphenyl)-
5-methyl-1,3-oxazolidin-2-one
A,B1XM60.72
505(2R)-1-(2,6-dimethylphenoxy)propan-
2-amine
A2VIN0.7
TOLTOLRESTATA2PDL0.75
TOLTOLRESTATA2FZD0.75
TOLTOLRESTATA2FZB0.75
TOLTOLRESTATA1AH30.75
TOLTOLRESTATX1ZUA0.75
TOLTOLRESTATA1AE40.75
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
A1XP10.71
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA1NY00.71
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA,B1YMS0.71
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
A1XP60.71
TNT1,3-BIS(AMIDINOPHENOXY)PROPANEB102D0.7
TNT1,3-BIS(AMIDINOPHENOXY)PROPANEA1PRP0.7
2NIN-{2-[(4'-CYANO-1,1'-BIPHENYL-4-
YL)OXY]ETHYL}-N'-HYDROXY-N-METHYLUREA
A1ZP50.75
SFX(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWW0.77
P124-[AMINO(IMINO)METHYL]-1-[2-(3-
AMMONIOPROPOXY)-5-METHOXYBENZYL]PIPERAZIN-
1-IUM
B1UUI0.71
HC6(2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2-
hydroxy-4,4-dimethylmorpholin-4-
ium)
A,B3F2R0.72
HC6(2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2-
hydroxy-4,4-dimethylmorpholin-4-
ium)
A,B3G150.72
RFX(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWV0.77
MOI(7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A-
HEXAHYDRO-1H-4,12-METHANO[1]BENZOFURO[3,2-
E]ISOQUINOLINE-7,9-DIOL
H,L1Q0Y0.72
SB82-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDEA2AIA0.71
SNP1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-
2-PROPANOL
A1DY40.81
TAX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINIUM
A1FJ50.82
XX62-{[(2R)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-
1,3-DIOL
A2V3I0.78
XX72-{[(2S)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-
1,3-DIOL
A2V3R0.78
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
TXF(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL
A,B,C,D,E2EWP0.82
LY22-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-
4-ONE
A1YI30.72
LY22-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-
4-ONE
A1E7V0.72
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.7
2PMN-[2-(BENZHYDRYLOXY)ETHYL]-N,N-
DIMETHYLAMINE
A,B2AOT0.72
L4G6-(4-METHYLSULFONYL-PHENYL)-5-[4-
(2-PIPERIDIN-1-YLETHOXY)PHENOXY]NAPHTHALEN-
2-OL
A2AYR0.75
SLX(13aS)-3,10-dimethoxy-5,8,13,13a-
tetrahydro-6H-isoquino[3,2-a]isoquinoline-
2,9-diol
A3FW90.73
LZP4,4'-piperazine-1,4-diylbis{1-[3-
(benzyloxy)phenyl]-4-oxobutane-
1,3-dione}
A3EAX0.7
DID4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDEA,B,C,D1RPW0.71
AIJ(2S,3R)-3-(4-HYDROXYPHENYL)-2-(4-
{[(2S)-2-PYRROLIDIN-1-YLPROPYL]OXY}PHENYL)-
2,3-DIHYDRO-1,4-BENZOXATHIIN-6-
OL
A1XP90.7
PTI2-PHENYL-1-[4-(2-PIPERIDIN-1-YL-
ETHOXY)-PHENYL]-1,2,3,4-TETRAHYDRO-
ISOQUINOLIN-6-OL
A1UOM0.76
CMZ(2S)-1-(2,5-dimethylphenoxy)-3-
morpholin-4-ylpropan-2-ol
A2OF00.8
C3D(5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-
1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-OL
A2OUZ0.86
NMB2,7-DIBENZYL-1,1-DIOXO-3,6-BIS-
PHENOXYMETHYL-[1,2,7]THIADIAZEPANE-
4,5-DIOL
A1AJV0.71
DPDA,B1QIW0.75
DPDA1QIV0.75
REN(S)-reticulineA3FWA0.76
REN(S)-reticulineA3D2D0.76
3695-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-
7-methylnaphthalen-2-ol
A,B3DT30.71
CM4(2R,3R,4S)-3-(4-HYDROXYPHENYL)-
4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN-
6-OL
A1YIM0.8
RNP(1E,2R)-1-(ISOPROPYLIMINO)-3-(1-
NAPHTHYLOXY)PROPAN-2-OL
X1H460.76
AIT(2S,3R)-3-(4-HYDROXYPHENYL)-2-(4-
{[(2R)-2-PYRROLIDIN-1-YLPROPYL]OXY}PHENYL)-
2,3-DIHYDRO-1,4-BENZOXATHIIN-6-
OL
A1XPC0.7
P14N-[2-(2-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}-
4-METHOXYPHENOXY)ETHYL]GUANIDINE
B1UUD0.71
BT23-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-
BENZYL]-2-4-(2-PYRROLIDIN-1-YL-
ETHOXY)-PHENYL] -BENZO[B]THIOPHENE
B,H1D3Q0.72
NOANAPHTHYLOXYACETIC ACIDA,B,I1HIV0.73
NOANAPHTHYLOXYACETIC ACIDI1IVP0.73
DCH3-(7-DIAMINOMETHYL-NAPHTHALEN-2-
YL)-PROPIONIC ACID ETHYL ESTER
H1UVU0.74
I0G(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL
A,B2I0G0.71
I0G(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL
A,B,C,D2I0J0.71
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.7
11N1-[1'-(3-phenylacryloyl)spiro[1-
benzofuran-3,4'-piperidin]-5-yl]methanamine
A,B,C,D2ZEC0.76
CTX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINE
A,B,C1YA40.85
OHT4-HYDROXYTAMOXIFENA3ERT0.82
OHT4-HYDROXYTAMOXIFENA,B1S9Q0.82
OHT4-HYDROXYTAMOXIFENA,B1VJB0.82
OHT4-HYDROXYTAMOXIFENA,B,C,P,R2JF90.82
OHT4-HYDROXYTAMOXIFENA,B,C,D,E,F2GPV0.82
OHT4-HYDROXYTAMOXIFENA2GPU0.82
OHT4-HYDROXYTAMOXIFENA2P7Z0.82
OHT4-HYDROXYTAMOXIFENA,B2BJ40.82
OHT4-HYDROXYTAMOXIFENA,B2FSZ0.82
B76A,B2E9D0.71