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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02178469

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.8
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.8
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.82
OSB2-SUCCINYLBENZOATEA1FHV0.71
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.71
OSB2-SUCCINYLBENZOATEA,B2QVH0.71
TTLTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN50.72
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.78
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.71
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.75
OBZO-benzylhydroxylamineA,B3DTH0.76
OBZO-benzylhydroxylamineA,B3DTG0.76
2DM2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATEA,B1S880.7
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.72
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
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.74
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.74
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.74
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.72
MBD3-METHYLCATECHOLA1KNF0.74
B08A,B2E990.7
RMN(R)-MANDELIC ACIDA1MDL0.8
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MCZ0.8
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.82
CRSM-CRESOLA,B,C,D1EV30.73
CRSM-CRESOLA,B,C,D,E,F2OMG0.73
CRSM-CRESOLA,B1UZ90.73
CRSM-CRESOLA,B,C,D1ZEH0.73
CRSM-CRESOLA,B,C,D,E,F1ZEI0.73
CRSM-CRESOLA,C,D,E7INS0.73
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.73
SS2(1R)-1-PHENYLETHANOLA1ZK00.88
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.88
SS2(1R)-1-PHENYLETHANOLA1ZJY0.88
PFB2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOLA,B1MGO0.71
PFB2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOLA,B1HLD0.71
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.74
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.74
EYK2-tert-butylbenzene-1,4-diolB3EYK0.74
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.74
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.74
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.74
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.74
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.74
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.75
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,D1Y0G0.72
HHH(2S)-hydroxy(4-hydroxyphenyl)ethanoic acidA,B2R5V0.76
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.7
DHCCAFFEIC ACIDA1KOU0.7
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.73
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.76
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.73
DESDIETHYLSTILBESTROLA,B3ERD0.73
DESDIETHYLSTILBESTROLA,B1TT60.73
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.73
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.78
4584-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
8-METHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2B1V0.71
CTLCIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN30.72
MNN(S)-MANDELIC ACID NITRILEA1YB60.82
2LP2-ALLYLPHENOLA1OV50.76
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL
A,B2QGT0.7
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.72
NF2(1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO-
5-METHYLPHENYL)-5-O-PHOSPHONO-D-
RIBITOL
A,B2G920.78
NF2(1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO-
5-METHYLPHENYL)-5-O-PHOSPHONO-D-
RIBITOL
A,B,C,D2Q1O0.78
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
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
TA2(2R,3S)-3-AMINO-3-PHENYLPROPANE-
1,2-DIOL
A,B2IFR0.71
2MP3,4-DIMETHYLPHENOLA1L5O0.73
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.8
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.7
6894-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B1ZKY0.71
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.71
PEL2-PHENYL-ETHANOLA,B1I0D0.81
PEL2-PHENYL-ETHANOLD,H2I0T0.81
PEL2-PHENYL-ETHANOLA,B1HZY0.81
PEL2-PHENYL-ETHANOLA,B1I0B0.81
PEL2-PHENYL-ETHANOLA1EYW0.81
PEL2-PHENYL-ETHANOLA,B1JGM0.81
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
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FF50.78
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FET0.78
341(3,5-difluorophenyl)methanolC3EON0.78
RSOR-STYRENE OXIDEA,B1PWZ0.78
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
A,B2G440.71
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.71
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.71
2NAnaphthalen-2-ylmethanolA,B,C3EE50.81
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXV0.8
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,E2IBK0.8
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,C,D,E,F2IA60.8
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1Y9H0.8
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1FYY0.8
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXO0.8
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1DXA0.8
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXL0.8
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,D,E,F1S0M0.8
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1BPS0.8
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,C1XC90.8
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.73
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.78
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.87
PYP2'-DEOXYRIBOFURANOSYLPYRENE-5'-
MONOPHOSPHATE
A,B1FZS0.72
PYP2'-DEOXYRIBOFURANOSYLPYRENE-5'-
MONOPHOSPHATE
A,B1FZL0.72
PCRP-CRESOLA1JHV0.72
PCRP-CRESOLA1JHU0.72
PCRP-CRESOLA,B,C,D1DIQ0.72
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.77
PYYD-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATEA1G2J0.82
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A1ILH0.7
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A,B1NRL0.7
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.73
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.73
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.8
12M(2-ETHYLPHENYL)METHANOLA,B2F620.84
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.74
SS11-PHENYLETHANOLH1UM50.88
TBT8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-
8,9,10-TRIOL
A1DJD0.81
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
A1BW70.79
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
A,T2VA30.79
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
A,B,D,F2V9W0.79
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
A,B,D,E,F2VA20.79
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
1,21EEK0.79
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.73
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,3,4,5,9,
A,B,C,H,J,K,
L,M,N,O,Q,R,
S,T,U,Y,Z
1VQ60.76
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA,B1C1X0.76
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,3,4,9,A,
B,C,D,F,H,J,
K,L,M,N,O,Q,
R,S,T,U,Y,Z
1VQP0.76
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,2,3,4,5,
9,A,B,C,D,F,
H,J,K,L,M,N,
O,Q,R,S,T,U,
Y,Z
1VQN0.76
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1QRP0.76
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA2CTC0.76
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E820.76
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E810.76
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.77
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.87
BZR1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1MXJ0.81
STLRESVERATROLA,B3CKL0.72
STLRESVERATROLA,B,C,D1U0W0.72
STLRESVERATROLA1CGZ0.72
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.72
STLRESVERATROLA1Z1F0.72
STLRESVERATROLA1DVS0.72
STLRESVERATROLA,B1SG00.72
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A,P,T2I9G0.81
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HWV0.81
LNRL-NOREPINEPHRINEA,B2QEO0.72
LNRL-NOREPINEPHRINEA3DYE0.72
LNRL-NOREPINEPHRINEA4PAH0.72
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A2ROU0.81
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HX40.81
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDL0.71
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDK0.71
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1DL40.81
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1I7V0.81
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1QBY0.81
4594-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-
8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2FAI0.71
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
2PIS0.8
ETY4-ethylphenolA,B,C,D2RA60.74
SMN(S)-MANDELIC ACIDA1MDL0.8
MCT4-METHYLCATECHOLA1L4G0.73
MCT4-METHYLCATECHOLA2EHZ0.73
MCT4-METHYLCATECHOLA,B1DMH0.73
BPA7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENEA1JDG0.8
D1NNAPHTHALENE-1,2-DIOLA2EI10.7
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.74
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.74
EPTHEPTANYL-P-PHENOLA,B1AHZ0.76
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL
A2J7Y0.72
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDM,N,O,P,Q,R3PCN0.71
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDB1AI40.71
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B,C,D1Q0C0.71
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B1F1V0.71
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.72
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.7
ESLESTRIOLA1X8V0.72