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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02791689

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.73
BPA7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENEA1JDG0.77
B28A,B2E9A0.73
EPTHEPTANYL-P-PHENOLA,B1AHZ0.74
PYYD-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATEA1G2J0.74
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.74
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.74
BFLA,B1Q4G0.71
ETY4-ethylphenolA,B,C,D2RA60.71
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.73
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.73
EYK2-tert-butylbenzene-1,4-diolB3EYK0.73
FBCA,B2B9A0.71
TXF(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL
A,B,C,D,E2EWP0.71
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.74
CTLCIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN30.73
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.77
DESDIETHYLSTILBESTROLA,B3ERD0.77
DESDIETHYLSTILBESTROLA,B1TT60.77
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.77
PHQFORMIC ACID BENZYL ESTERA,I2F4O0.77
PHQFORMIC ACID BENZYL ESTERA1KJO0.77
PHQFORMIC ACID BENZYL ESTERI2CDR0.77
PHQFORMIC ACID BENZYL ESTERI2C1E0.77
PHQFORMIC ACID BENZYL ESTERI5PAD0.77
PHQFORMIC ACID BENZYL ESTERE,F1JXQ0.77
PHQFORMIC ACID BENZYL ESTERA2CNO0.77
PHQFORMIC ACID BENZYL ESTERA,B1CGL0.77
PHQFORMIC ACID BENZYL ESTERI2AZ90.77
PHQFORMIC ACID BENZYL ESTERI2C2K0.77
PHQFORMIC ACID BENZYL ESTERA,I2CNL0.77
PHQFORMIC ACID BENZYL ESTERA1KJP0.77
PHQFORMIC ACID BENZYL ESTERI2C2M0.77
PHQFORMIC ACID BENZYL ESTERI2AZB0.77
PHQFORMIC ACID BENZYL ESTERA9HVP0.77
PHQFORMIC ACID BENZYL ESTERA1ESB0.77
PHQFORMIC ACID BENZYL ESTERE,F1DY80.77
PHQFORMIC ACID BENZYL ESTERE,I1PPM0.77
PHQFORMIC ACID BENZYL ESTERI1GEC0.77
PHQFORMIC ACID BENZYL ESTERA1KS70.77
PHQFORMIC ACID BENZYL ESTERC1A8G0.77
PHQFORMIC ACID BENZYL ESTERA1KKK0.77
PHQFORMIC ACID BENZYL ESTERT,U,V,W,X,Y1QDU0.77
PHQFORMIC ACID BENZYL ESTERE,I4TMN0.77
PHQFORMIC ACID BENZYL ESTERE,I5TMN0.77
PHQFORMIC ACID BENZYL ESTERA1KTO0.77
PHQFORMIC ACID BENZYL ESTERA,C1TG10.77
PHQFORMIC ACID BENZYL ESTERI2AZ80.77
PHQFORMIC ACID BENZYL ESTERA,B2G580.77
PHQFORMIC ACID BENZYL ESTERQ,R,S,T,U,V1F9E0.77
PHQFORMIC ACID BENZYL ESTERI2CJY0.77
PHQFORMIC ACID BENZYL ESTERA,I1E8M0.77
PHQFORMIC ACID BENZYL ESTERA1KR60.77
PHQFORMIC ACID BENZYL ESTERE,I6TMN0.77
PHQFORMIC ACID BENZYL ESTERA1KRO0.77
PHQFORMIC ACID BENZYL ESTERI2CNN0.77
PHQFORMIC ACID BENZYL ESTERI2C2O0.77
PHQFORMIC ACID BENZYL ESTERA,B1SQZ0.77
PHQFORMIC ACID BENZYL ESTERA,B1THE0.77
PHQFORMIC ACID BENZYL ESTERI,J2AZC0.77
PHQFORMIC ACID BENZYL ESTERE,I5EST0.77
PHQFORMIC ACID BENZYL ESTERI2CNK0.77
PHQFORMIC ACID BENZYL ESTERA1KL60.77
PHQFORMIC ACID BENZYL ESTERI6PAD0.77
PHQFORMIC ACID BENZYL ESTERB,I2C2Z0.77
SMN(S)-MANDELIC ACIDA1MDL0.7
4FCA1YSG0.71
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
2PIS0.72
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
A1BW70.73
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
A,T2VA30.73
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
A,B,D,F2V9W0.73
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
A,B,D,E,F2VA20.73
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
1,21EEK0.73
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.79
TRTFRAGMENT OF TRITON X-100A,E2I0U0.7
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.7
TBT8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-
8,9,10-TRIOL
A1DJD0.78
341(3,5-difluorophenyl)methanolC3EON0.75
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FF50.73
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FET0.73
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL
A,B2OP30.73
1NH(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]-
3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE
B1O1S0.7
3TN(2E)-3-[4-HYDROXY-3-(3-METHOXY-
5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1T0.7
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.75
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE
C,D,E1SQQ0.73
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
ESLESTRIOLA1X8V0.71
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL
A2J7Y0.71
2MP3,4-DIMETHYLPHENOLA1L5O0.74
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.73
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
26CA,B2F7I0.71
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.7
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.7
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.7
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.7
B08A,B2E990.74
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
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.76
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.76
2LP2-ALLYLPHENOLA1OV50.71
SS2(1R)-1-PHENYLETHANOLA1ZK00.82
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.82
SS2(1R)-1-PHENYLETHANOLA1ZJY0.82
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.75
2DM2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATEA,B1S880.75
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.81
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.71
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.71
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.71
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXV0.77
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,E2IBK0.77
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,C,D,E,F2IA60.77
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1Y9H0.77
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1FYY0.77
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXO0.77
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1DXA0.77
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXL0.77
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,D,E,F1S0M0.77
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1BPS0.77
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,C1XC90.77
D1NNAPHTHALENE-1,2-DIOLA2EI10.71
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL
A,B2QGT0.72
BPYBIPHENYL-2,3-DIOLA1KMY0.74
BPYBIPHENYL-2,3-DIOLB1KW80.74
BPYBIPHENYL-2,3-DIOLA2EI30.74
BPYBIPHENYL-2,3-DIOLA1EIR0.74
BPYBIPHENYL-2,3-DIOLB1KW60.74
BPYBIPHENYL-2,3-DIOLB1KWC0.74
BPYBIPHENYL-2,3-DIOLB1KW90.74
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.74
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.74
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.79
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.79
TTLTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN50.73
NF2(1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO-
5-METHYLPHENYL)-5-O-PHOSPHONO-D-
RIBITOL
A,B2G920.72
NF2(1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO-
5-METHYLPHENYL)-5-O-PHOSPHONO-D-
RIBITOL
A,B,C,D2Q1O0.72
DFADIPHENYLACETIC ACIDA,B,C1GMY0.71
RSOR-STYRENE OXIDEA,B1PWZ0.78
ESTESTRADIOLA,B1GWR0.73
ESTESTRADIOLA1FDS0.73
ESTESTRADIOLA,B,C1G500.73
ESTESTRADIOLA,B,C,D,E,F1ERE0.73
ESTESTRADIOLA,B1A520.73
ESTESTRADIOLA1FDT0.73
ESTESTRADIOLA2OCF0.73
ESTESTRADIOLA,B,C1QKU0.73
ESTESTRADIOLA,B,C,D,L1E6W0.73
ESTESTRADIOLA1IOL0.73
ESTESTRADIOLH1JNN0.73
ESTESTRADIOLB1QKT0.73
ESTESTRADIOLA1FDW0.73
ESTESTRADIOLA,B1AQU0.73
ESTESTRADIOLA1LHU0.73
ESTESTRADIOLA1A270.73
ESTESTRADIOLL1JGL0.73
ESTESTRADIOLA,B,E,F1PCG0.73
ESTESTRADIOLA,B,C,D1FDU0.73
ESTESTRADIOLA2J7X0.73
ESTESTRADIOLA,B2D060.73
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID
A1XAP0.72
ANFANTHRONEH2BJM0.74
CRSM-CRESOLA,B,C,D1EV30.7
CRSM-CRESOLA,B,C,D,E,F2OMG0.7
CRSM-CRESOLA,B1UZ90.7
CRSM-CRESOLA,B,C,D1ZEH0.7
CRSM-CRESOLA,B,C,D,E,F1ZEI0.7
CRSM-CRESOLA,C,D,E7INS0.7
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.7
2NAnaphthalen-2-ylmethanolA,B,C3EE50.87
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,D1Y0G0.71
OXNOXTOXYNOL-10A1IKT0.71
OXNOXTOXYNOL-10A,B2Q320.71
OXNOXTOXYNOL-10A,B1UEH0.71
OXNOXTOXYNOL-10A,B2D4Q0.71
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.71
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.77
1NP1-NAPHTHOLX2ZVQ0.74
HC6(2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2-
hydroxy-4,4-dimethylmorpholin-4-
ium)
A,B3F2R0.71
HC6(2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2-
hydroxy-4,4-dimethylmorpholin-4-
ium)
A,B3G150.71
4584-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
8-METHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2B1V0.73
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.7
DR6ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-
OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)
C,I,T1YTZ0.7
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
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.8
TBC(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENEA1N8C0.75
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.72
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.72
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.72
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.76
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.75
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.72
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.71
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
A,B2G440.75
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.75
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.78
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.81
OBZO-benzylhydroxylamineA,B3DTH0.73
OBZO-benzylhydroxylamineA,B3DTG0.73
PYP2'-DEOXYRIBOFURANOSYLPYRENE-5'-
MONOPHOSPHATE
A,B1FZS0.74
PYP2'-DEOXYRIBOFURANOSYLPYRENE-5'-
MONOPHOSPHATE
A,B1FZL0.74
SS11-PHENYLETHANOLH1UM50.82
PEL2-PHENYL-ETHANOLA,B1I0D0.77
PEL2-PHENYL-ETHANOLD,H2I0T0.77
PEL2-PHENYL-ETHANOLA,B1HZY0.77
PEL2-PHENYL-ETHANOLA,B1I0B0.77
PEL2-PHENYL-ETHANOLA1EYW0.77
PEL2-PHENYL-ETHANOLA,B1JGM0.77
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.76
2PMN-[2-(BENZHYDRYLOXY)ETHYL]-N,N-
DIMETHYLAMINE
A,B2AOT0.76
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,D1RDT0.72
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.7
4594-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-
8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2FAI0.76
G24[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-
DIMETHYLPHENOXY]ACETIC ACID
A1Q4X0.71
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.71
YR3(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-
2-hydroxy-3,3-dimethylbutyl]oxy}-
3-methylphenyl)propyl]-2-methylphenoxy}propane-
1,2-diol
A2ZFX0.75
MNN(S)-MANDELIC ACID NITRILEA1YB60.75
12M(2-ETHYLPHENYL)METHANOLA,B2F620.86
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.77
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
RMN(R)-MANDELIC ACIDA1MDL0.7
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MCZ0.7
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.77
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.71
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.72
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.72