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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02251513

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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,B1JP30.74
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
A2W220.74
OHT4-HYDROXYTAMOXIFENA3ERT0.7
OHT4-HYDROXYTAMOXIFENA,B1S9Q0.7
OHT4-HYDROXYTAMOXIFENA,B1VJB0.7
OHT4-HYDROXYTAMOXIFENA,B,C,P,R2JF90.7
OHT4-HYDROXYTAMOXIFENA,B,C,D,E,F2GPV0.7
OHT4-HYDROXYTAMOXIFENA2GPU0.7
OHT4-HYDROXYTAMOXIFENA2P7Z0.7
OHT4-HYDROXYTAMOXIFENA,B2BJ40.7
OHT4-HYDROXYTAMOXIFENA,B2FSZ0.7
NF2(1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO-
5-METHYLPHENYL)-5-O-PHOSPHONO-D-
RIBITOL
A,B2G920.73
NF2(1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO-
5-METHYLPHENYL)-5-O-PHOSPHONO-D-
RIBITOL
A,B,C,D2Q1O0.73
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.76
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.71
EPTHEPTANYL-P-PHENOLA,B1AHZ0.74
HC6(2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2-
hydroxy-4,4-dimethylmorpholin-4-
ium)
A,B3F2R0.7
HC6(2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2-
hydroxy-4,4-dimethylmorpholin-4-
ium)
A,B3G150.7
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.75
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.78
DESDIETHYLSTILBESTROLA,B3ERD0.78
DESDIETHYLSTILBESTROLA,B1TT60.78
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.78
4594-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-
8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2FAI0.75
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.76
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.78
ETY4-ethylphenolA,B,C,D2RA60.71
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.75
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.75
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.75
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.75
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
A1BW70.74
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
A,T2VA30.74
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
A,B,D,F2V9W0.74
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
A,B,D,E,F2VA20.74
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
1,21EEK0.74
MAXMATAIRESINOLA2BGM0.71
2NAnaphthalen-2-ylmethanolA,B,C3EE50.77
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.72
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.72
B08A,B2E990.7
12M(2-ETHYLPHENYL)METHANOLA,B2F620.8
TBT8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-
8,9,10-TRIOL
A1DJD0.78
1NH(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]-
3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE
B1O1S0.7
PHQFORMIC ACID BENZYL ESTERA,I2F4O0.75
PHQFORMIC ACID BENZYL ESTERA1KJO0.75
PHQFORMIC ACID BENZYL ESTERI2CDR0.75
PHQFORMIC ACID BENZYL ESTERI2C1E0.75
PHQFORMIC ACID BENZYL ESTERI5PAD0.75
PHQFORMIC ACID BENZYL ESTERE,F1JXQ0.75
PHQFORMIC ACID BENZYL ESTERA2CNO0.75
PHQFORMIC ACID BENZYL ESTERA,B1CGL0.75
PHQFORMIC ACID BENZYL ESTERI2AZ90.75
PHQFORMIC ACID BENZYL ESTERI2C2K0.75
PHQFORMIC ACID BENZYL ESTERA,I2CNL0.75
PHQFORMIC ACID BENZYL ESTERA1KJP0.75
PHQFORMIC ACID BENZYL ESTERI2C2M0.75
PHQFORMIC ACID BENZYL ESTERI2AZB0.75
PHQFORMIC ACID BENZYL ESTERA9HVP0.75
PHQFORMIC ACID BENZYL ESTERA1ESB0.75
PHQFORMIC ACID BENZYL ESTERE,F1DY80.75
PHQFORMIC ACID BENZYL ESTERE,I1PPM0.75
PHQFORMIC ACID BENZYL ESTERI1GEC0.75
PHQFORMIC ACID BENZYL ESTERA1KS70.75
PHQFORMIC ACID BENZYL ESTERC1A8G0.75
PHQFORMIC ACID BENZYL ESTERA1KKK0.75
PHQFORMIC ACID BENZYL ESTERT,U,V,W,X,Y1QDU0.75
PHQFORMIC ACID BENZYL ESTERE,I4TMN0.75
PHQFORMIC ACID BENZYL ESTERE,I5TMN0.75
PHQFORMIC ACID BENZYL ESTERA1KTO0.75
PHQFORMIC ACID BENZYL ESTERA,C1TG10.75
PHQFORMIC ACID BENZYL ESTERI2AZ80.75
PHQFORMIC ACID BENZYL ESTERA,B2G580.75
PHQFORMIC ACID BENZYL ESTERQ,R,S,T,U,V1F9E0.75
PHQFORMIC ACID BENZYL ESTERI2CJY0.75
PHQFORMIC ACID BENZYL ESTERA,I1E8M0.75
PHQFORMIC ACID BENZYL ESTERA1KR60.75
PHQFORMIC ACID BENZYL ESTERE,I6TMN0.75
PHQFORMIC ACID BENZYL ESTERA1KRO0.75
PHQFORMIC ACID BENZYL ESTERI2CNN0.75
PHQFORMIC ACID BENZYL ESTERI2C2O0.75
PHQFORMIC ACID BENZYL ESTERA,B1SQZ0.75
PHQFORMIC ACID BENZYL ESTERA,B1THE0.75
PHQFORMIC ACID BENZYL ESTERI,J2AZC0.75
PHQFORMIC ACID BENZYL ESTERE,I5EST0.75
PHQFORMIC ACID BENZYL ESTERI2CNK0.75
PHQFORMIC ACID BENZYL ESTERA1KL60.75
PHQFORMIC ACID BENZYL ESTERI6PAD0.75
PHQFORMIC ACID BENZYL ESTERB,I2C2Z0.75
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1DL40.78
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1I7V0.78
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1QBY0.78
FFD(1R)-1,4-anhydro-2-deoxy-1-(3-fluorophenyl)-
5-O-phosphono-D-erythro-pentitol
A,B,C,D,E,F,
G,H,I,J,K,L
2PIS0.75
B76A,B2E9D0.72
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.76
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.77
UIN5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-
3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-
2-ONE
B5UPJ0.7
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.72
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A2ROU0.78
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HX40.78
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.7
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL
A,B2QGT0.7
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.76
8PP2-[(2E,6E,10E,14E,18E,22E,26E)-
3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-
2,6,10,14,18,22,26,30-OCTAENYL]PHENOL
A,B,C,D1Y0G0.73
PYYD-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATEA1G2J0.77
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A,P,T2I9G0.78
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HWV0.78
BZR1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1MXJ0.78
2LP2-ALLYLPHENOLA1OV50.71
BPYBIPHENYL-2,3-DIOLA1KMY0.75
BPYBIPHENYL-2,3-DIOLB1KW80.75
BPYBIPHENYL-2,3-DIOLA2EI30.75
BPYBIPHENYL-2,3-DIOLA1EIR0.75
BPYBIPHENYL-2,3-DIOLB1KW60.75
BPYBIPHENYL-2,3-DIOLB1KWC0.75
BPYBIPHENYL-2,3-DIOLB1KW90.75
SS2(1R)-1-PHENYLETHANOLA1ZK00.82
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.82
SS2(1R)-1-PHENYLETHANOLA1ZJY0.82
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.73
G24[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-
DIMETHYLPHENOXY]ACETIC ACID
A1Q4X0.72
SMN(S)-MANDELIC ACIDA1MDL0.73
TRTFRAGMENT OF TRITON X-100A,E2I0U0.73
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.73
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.75
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.7
TBC(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENEA1N8C0.71
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.72
OXNOXTOXYNOL-10A1IKT0.74
OXNOXTOXYNOL-10A,B2Q320.74
OXNOXTOXYNOL-10A,B1UEH0.74
OXNOXTOXYNOL-10A,B2D4Q0.74
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.74
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.74
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.73
ESM1,3,5(10)-ESTRATRIEN-2,3,17-BETA-
TRIOL 2-METHYL ETHER
A1LHW0.72
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE
C,D,E1SQQ0.71
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.78
2DM2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATEA,B1S880.76
YR3(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-
2-hydroxy-3,3-dimethylbutyl]oxy}-
3-methylphenyl)propyl]-2-methylphenoxy}propane-
1,2-diol
A2ZFX0.77
OBZO-benzylhydroxylamineA,B3DTH0.7
OBZO-benzylhydroxylamineA,B3DTG0.7
6894-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B1ZKY0.74
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.75
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE
A6UPJ0.7
RSOR-STYRENE OXIDEA,B1PWZ0.8
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.82
ESTESTRADIOLA,B1GWR0.71
ESTESTRADIOLA1FDS0.71
ESTESTRADIOLA,B,C1G500.71
ESTESTRADIOLA,B,C,D,E,F1ERE0.71
ESTESTRADIOLA,B1A520.71
ESTESTRADIOLA1FDT0.71
ESTESTRADIOLA2OCF0.71
ESTESTRADIOLA,B,C1QKU0.71
ESTESTRADIOLA,B,C,D,L1E6W0.71
ESTESTRADIOLA1IOL0.71
ESTESTRADIOLH1JNN0.71
ESTESTRADIOLB1QKT0.71
ESTESTRADIOLA1FDW0.71
ESTESTRADIOLA,B1AQU0.71
ESTESTRADIOLA1LHU0.71
ESTESTRADIOLA1A270.71
ESTESTRADIOLL1JGL0.71
ESTESTRADIOLA,B,E,F1PCG0.71
ESTESTRADIOLA,B,C,D1FDU0.71
ESTESTRADIOLA2J7X0.71
ESTESTRADIOLA,B2D060.71
PEL2-PHENYL-ETHANOLA,B1I0D0.73
PEL2-PHENYL-ETHANOLD,H2I0T0.73
PEL2-PHENYL-ETHANOLA,B1HZY0.73
PEL2-PHENYL-ETHANOLA,B1I0B0.73
PEL2-PHENYL-ETHANOLA1EYW0.73
PEL2-PHENYL-ETHANOLA,B1JGM0.73
RMN(R)-MANDELIC ACIDA1MDL0.73
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MCZ0.73
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.72
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.72
4584-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
8-METHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2B1V0.74
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.74
BPA7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENEA1JDG0.76
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.7
ECS2,3,17BETA-TRIHYDROXY-1,3,5(10)-
ESTRATRIENE
A,B,C,D2BW70.7
SS11-PHENYLETHANOLH1UM50.82
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.71
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
A,B2G440.77
DR6ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-
OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)
C,I,T1YTZ0.73
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.71
EYK2-tert-butylbenzene-1,4-diolB3EYK0.71
MNN(S)-MANDELIC ACID NITRILEA1YB60.74
S1ASORAPHEN AA,B3GID0.71
S1ASORAPHEN AA,B,C1W960.71
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXV0.76
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,E2IBK0.76
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,C,D,E,F2IA60.76
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1Y9H0.76
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1FYY0.76
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXO0.76
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1DXA0.76
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXL0.76
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,D,E,F1S0M0.76
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1BPS0.76
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,C1XC90.76
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.73
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.72
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.72
D1NNAPHTHALENE-1,2-DIOLA2EI10.7
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FF50.76
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FET0.76
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL
A,B2OP30.76
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3B3K0.72
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3D6D0.72
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.76
2PMN-[2-(BENZHYDRYLOXY)ETHYL]-N,N-
DIMETHYLAMINE
A,B2AOT0.79
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.77
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.77
341(3,5-difluorophenyl)methanolC3EON0.71
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL
A2J7Y0.72
L79(S)-(2E)-3[4-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)TETRAHYDRO-
1-BENZOFURAN-2-YL]-2-PROPENOIC ACID
A,D1RDT0.7
1NP1-NAPHTHOLX2ZVQ0.7
PYP2'-DEOXYRIBOFURANOSYLPYRENE-5'-
MONOPHOSPHATE
A,B1FZS0.75
PYP2'-DEOXYRIBOFURANOSYLPYRENE-5'-
MONOPHOSPHATE
A,B1FZL0.75
ESLESTRIOLA1X8V0.72