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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03366145

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.75
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
341(3,5-difluorophenyl)methanolC3EON0.74
RSOR-STYRENE OXIDEA,B1PWZ0.74
EPTHEPTANYL-P-PHENOLA,B1AHZ0.74
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.71
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.7
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.73
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
2NAnaphthalen-2-ylmethanolA,B,C3EE50.77
BPYBIPHENYL-2,3-DIOLA1KMY0.72
BPYBIPHENYL-2,3-DIOLB1KW80.72
BPYBIPHENYL-2,3-DIOLA2EI30.72
BPYBIPHENYL-2,3-DIOLA1EIR0.72
BPYBIPHENYL-2,3-DIOLB1KW60.72
BPYBIPHENYL-2,3-DIOLB1KWC0.72
BPYBIPHENYL-2,3-DIOLB1KW90.72
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL		A,B2G5O0.74
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.76
TBT8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-
8,9,10-TRIOL		A1DJD0.78
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.74
HHH(2S)-hydroxy(4-hydroxyphenyl)ethanoic acidA,B2R5V0.71
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.7
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.7
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.7
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.7
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.7
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
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.71
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.71
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
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE		A,B1O7P0.86
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
2MP3,4-DIMETHYLPHENOLA1L5O0.73
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.72
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.7
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.7
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.7
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.71
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL		A1YSG0.7
SS11-PHENYLETHANOLH1UM50.85
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.74
PEL2-PHENYL-ETHANOLA,B1I0D0.76
PEL2-PHENYL-ETHANOLD,H2I0T0.76
PEL2-PHENYL-ETHANOLA,B1HZY0.76
PEL2-PHENYL-ETHANOLA,B1I0B0.76
PEL2-PHENYL-ETHANOLA1EYW0.76
PEL2-PHENYL-ETHANOLA,B1JGM0.76
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.72
EYK2-tert-butylbenzene-1,4-diolB3EYK0.72
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL		A,B2G440.71
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		1VQ60.72
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA,B1C1X0.72
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		1VQP0.72
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		1VQN0.72
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1QRP0.72
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA2CTC0.72
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E820.72
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E810.72
RMN(R)-MANDELIC ACIDA1MDL0.76
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		1MCZ0.76
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,D1Y0G0.71
ECS2,3,17BETA-TRIHYDROXY-1,3,5(10)-
ESTRATRIENE		A,B,C,D2BW70.75
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid		A,B2RJR0.72
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.71
DESDIETHYLSTILBESTROLA,B3ERD0.71
DESDIETHYLSTILBESTROLA,B1TT60.71
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.71
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.75
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.75
ESTESTRADIOLA,B1GWR0.76
ESTESTRADIOLA1FDS0.76
ESTESTRADIOLA,B,C1G500.76
ESTESTRADIOLA,B,C,D,E,F1ERE0.76
ESTESTRADIOLA,B1A520.76
ESTESTRADIOLA1FDT0.76
ESTESTRADIOLA2OCF0.76
ESTESTRADIOLA,B,C1QKU0.76
ESTESTRADIOLA,B,C,D,L1E6W0.76
ESTESTRADIOLA1IOL0.76
ESTESTRADIOLH1JNN0.76
ESTESTRADIOLB1QKT0.76
ESTESTRADIOLA1FDW0.76
ESTESTRADIOLA,B1AQU0.76
ESTESTRADIOLA1LHU0.76
ESTESTRADIOLA1A270.76
ESTESTRADIOLL1JGL0.76
ESTESTRADIOLA,B,E,F1PCG0.76
ESTESTRADIOLA,B,C,D1FDU0.76
ESTESTRADIOLA2J7X0.76
ESTESTRADIOLA,B2D060.76
ETY4-ethylphenolA,B,C,D2RA60.72
MNN(S)-MANDELIC ACID NITRILEA1YB60.78
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.72
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.72
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.73
OBZO-benzylhydroxylamineA,B3DTH0.72
OBZO-benzylhydroxylamineA,B3DTG0.72
SMN(S)-MANDELIC ACIDA1MDL0.76
PCRP-CRESOLA1JHV0.7
PCRP-CRESOLA1JHU0.7
PCRP-CRESOLA,B,C,D1DIQ0.7
12M(2-ETHYLPHENYL)METHANOLA,B2F620.85
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.74
BPA7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENEA1JDG0.76
TTLTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL		A,B2AN50.71
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.7
ESLESTRIOLA1X8V0.78
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL		A2J7Y0.78
269(1R)-3-chloro-1-phenylpropan-1-
ol		A2RBS0.78
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
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.76
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.76
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.76
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.76
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL		A,B2QGT0.76
MBD3-METHYLCATECHOLA1KNF0.71
2LP2-ALLYLPHENOLA1OV50.72
PYYD-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATEA1G2J0.76
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.82
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
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.71
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.74
CTLCIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL		A,B2AN30.71
SS2(1R)-1-PHENYLETHANOLA1ZK00.85
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.85
SS2(1R)-1-PHENYLETHANOLA1ZJY0.85
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.78