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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02180271

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BPA7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENEA1JDG0.72
2PMN-[2-(BENZHYDRYLOXY)ETHYL]-N,N-
DIMETHYLAMINE
A,B2AOT0.75
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A,P,T2I9G0.73
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HWV0.73
BZR1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1MXJ0.73
ANFANTHRONEH2BJM0.7
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
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
BPYBIPHENYL-2,3-DIOLA1KMY0.7
BPYBIPHENYL-2,3-DIOLB1KW80.7
BPYBIPHENYL-2,3-DIOLA2EI30.7
BPYBIPHENYL-2,3-DIOLA1EIR0.7
BPYBIPHENYL-2,3-DIOLB1KW60.7
BPYBIPHENYL-2,3-DIOLB1KWC0.7
BPYBIPHENYL-2,3-DIOLB1KW90.7
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1DL40.73
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1I7V0.73
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1QBY0.73
4594-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-
8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2FAI0.75
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A2ROU0.73
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HX40.73
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
2DM2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATEA,B1S880.72
12M(2-ETHYLPHENYL)METHANOLA,B2F620.8
4FCA1YSG0.71
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.75
ENM(5S,8R,9S,10S,13R,14S,17S)-13-{2-
[(3,5-DIFLUOROBENZYL)OXY]ETHYL}-
17-HYDROXY-10-METHYLHEXADECAHYDRO-
3H-CYCLOPENTA[A]PHENANTHREN-3-ONE
A2PNU0.74
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.71
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
2PIS0.75
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.73
DESDIETHYLSTILBESTROLA,B3ERD0.73
DESDIETHYLSTILBESTROLA,B1TT60.73
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.73
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.73
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.81
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.81
PYYD-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATEA1G2J0.72
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.74
2LP2-ALLYLPHENOLA1OV50.71
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.7
PHQFORMIC ACID BENZYL ESTERA,I2F4O0.73
PHQFORMIC ACID BENZYL ESTERA1KJO0.73
PHQFORMIC ACID BENZYL ESTERI2CDR0.73
PHQFORMIC ACID BENZYL ESTERI2C1E0.73
PHQFORMIC ACID BENZYL ESTERI5PAD0.73
PHQFORMIC ACID BENZYL ESTERE,F1JXQ0.73
PHQFORMIC ACID BENZYL ESTERA2CNO0.73
PHQFORMIC ACID BENZYL ESTERA,B1CGL0.73
PHQFORMIC ACID BENZYL ESTERI2AZ90.73
PHQFORMIC ACID BENZYL ESTERI2C2K0.73
PHQFORMIC ACID BENZYL ESTERA,I2CNL0.73
PHQFORMIC ACID BENZYL ESTERA1KJP0.73
PHQFORMIC ACID BENZYL ESTERI2C2M0.73
PHQFORMIC ACID BENZYL ESTERI2AZB0.73
PHQFORMIC ACID BENZYL ESTERA9HVP0.73
PHQFORMIC ACID BENZYL ESTERA1ESB0.73
PHQFORMIC ACID BENZYL ESTERE,F1DY80.73
PHQFORMIC ACID BENZYL ESTERE,I1PPM0.73
PHQFORMIC ACID BENZYL ESTERI1GEC0.73
PHQFORMIC ACID BENZYL ESTERA1KS70.73
PHQFORMIC ACID BENZYL ESTERC1A8G0.73
PHQFORMIC ACID BENZYL ESTERA1KKK0.73
PHQFORMIC ACID BENZYL ESTERT,U,V,W,X,Y1QDU0.73
PHQFORMIC ACID BENZYL ESTERE,I4TMN0.73
PHQFORMIC ACID BENZYL ESTERE,I5TMN0.73
PHQFORMIC ACID BENZYL ESTERA1KTO0.73
PHQFORMIC ACID BENZYL ESTERA,C1TG10.73
PHQFORMIC ACID BENZYL ESTERI2AZ80.73
PHQFORMIC ACID BENZYL ESTERA,B2G580.73
PHQFORMIC ACID BENZYL ESTERQ,R,S,T,U,V1F9E0.73
PHQFORMIC ACID BENZYL ESTERI2CJY0.73
PHQFORMIC ACID BENZYL ESTERA,I1E8M0.73
PHQFORMIC ACID BENZYL ESTERA1KR60.73
PHQFORMIC ACID BENZYL ESTERE,I6TMN0.73
PHQFORMIC ACID BENZYL ESTERA1KRO0.73
PHQFORMIC ACID BENZYL ESTERI2CNN0.73
PHQFORMIC ACID BENZYL ESTERI2C2O0.73
PHQFORMIC ACID BENZYL ESTERA,B1SQZ0.73
PHQFORMIC ACID BENZYL ESTERA,B1THE0.73
PHQFORMIC ACID BENZYL ESTERI,J2AZC0.73
PHQFORMIC ACID BENZYL ESTERE,I5EST0.73
PHQFORMIC ACID BENZYL ESTERI2CNK0.73
PHQFORMIC ACID BENZYL ESTERA1KL60.73
PHQFORMIC ACID BENZYL ESTERI6PAD0.73
PHQFORMIC ACID BENZYL ESTERB,I2C2Z0.73
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.77
DC8(3AS,4R,9BR)-2,2-DIFLUORO-4-(4-
HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL
A,B2Q700.71
DC8(3AS,4R,9BR)-2,2-DIFLUORO-4-(4-
HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL
A,B2Z4B0.71
TBT8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-
8,9,10-TRIOL
A1DJD0.73
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.7
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXV0.72
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,E2IBK0.72
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,C,D,E,F2IA60.72
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1Y9H0.72
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1FYY0.72
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXO0.72
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1DXA0.72
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXL0.72
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,D,E,F1S0M0.72
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1BPS0.72
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,C1XC90.72
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.7
TBC(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENEA1N8C0.71
RSOR-STYRENE OXIDEA,B1PWZ0.78
SS2(1R)-1-PHENYLETHANOLA1ZK00.8
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.8
SS2(1R)-1-PHENYLETHANOLA1ZJY0.8
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.74
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.74
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.73
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.78
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.71
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
A,B2G440.74
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
341(3,5-difluorophenyl)methanolC3EON0.8
FBCA,B2B9A0.72
YR3(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-
2-hydroxy-3,3-dimethylbutyl]oxy}-
3-methylphenyl)propyl]-2-methylphenoxy}propane-
1,2-diol
A2ZFX0.7
4584-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
8-METHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2B1V0.74
PYP2'-DEOXYRIBOFURANOSYLPYRENE-5'-
MONOPHOSPHATE
A,B1FZS0.7
PYP2'-DEOXYRIBOFURANOSYLPYRENE-5'-
MONOPHOSPHATE
A,B1FZL0.7
2NAnaphthalen-2-ylmethanolA,B,C3EE50.79
PEL2-PHENYL-ETHANOLA,B1I0D0.75
PEL2-PHENYL-ETHANOLD,H2I0T0.75
PEL2-PHENYL-ETHANOLA,B1HZY0.75
PEL2-PHENYL-ETHANOLA,B1I0B0.75
PEL2-PHENYL-ETHANOLA1EYW0.75
PEL2-PHENYL-ETHANOLA,B1JGM0.75
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.73
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.74
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL
A,B2OP30.79
MNN(S)-MANDELIC ACID NITRILEA1YB60.74
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.81
PFB2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOLA,B1MGO0.73
PFB2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOLA,B1HLD0.73
SS11-PHENYLETHANOLH1UM50.8
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FF50.71
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FET0.71
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.72
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.72
1NP1-NAPHTHOLX2ZVQ0.7
26CA,B2F7I0.72
EPTHEPTANYL-P-PHENOLA,B1AHZ0.71
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.72