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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02474281

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
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
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL		A,B,I1ZSR0.7
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL		I1ZJ70.7
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL		I1ZLF0.7
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL		I1HEG0.7
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL		I1FQX0.7
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL		A,B,I1IIQ0.7
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL		I1HEF0.7
BZR1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL		A1MXJ0.73
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		1VQ60.73
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA,B1C1X0.73
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		1VQP0.73
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		1VQN0.73
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1QRP0.73
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA2CTC0.73
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E820.73
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E810.73
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
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.81
B28A,B2E9A0.75
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.71
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.71
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
ESTESTRADIOLA,B1GWR0.72
ESTESTRADIOLA1FDS0.72
ESTESTRADIOLA,B,C1G500.72
ESTESTRADIOLA,B,C,D,E,F1ERE0.72
ESTESTRADIOLA,B1A520.72
ESTESTRADIOLA1FDT0.72
ESTESTRADIOLA2OCF0.72
ESTESTRADIOLA,B,C1QKU0.72
ESTESTRADIOLA,B,C,D,L1E6W0.72
ESTESTRADIOLA1IOL0.72
ESTESTRADIOLH1JNN0.72
ESTESTRADIOLB1QKT0.72
ESTESTRADIOLA1FDW0.72
ESTESTRADIOLA,B1AQU0.72
ESTESTRADIOLA1LHU0.72
ESTESTRADIOLA1A270.72
ESTESTRADIOLL1JGL0.72
ESTESTRADIOLA,B,E,F1PCG0.72
ESTESTRADIOLA,B,C,D1FDU0.72
ESTESTRADIOLA2J7X0.72
ESTESTRADIOLA,B2D060.72
2NAnaphthalen-2-ylmethanolA,B,C3EE50.78
RSOR-STYRENE OXIDEA,B1PWZ0.73
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER		X1YS20.72
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER		X1YS10.72
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL		A,B,I1ZSF0.7
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL		A1JLD0.7
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL		A,B1IDA0.7
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL		A,B1IDB0.7
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL		A,B,I1Z8C0.7
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL		A,B,I1ZBG0.7
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL		A,B,I1ZPK0.7
TBC(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENEA1N8C0.8
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.71
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.73
DESDIETHYLSTILBESTROLA,B3ERD0.73
DESDIETHYLSTILBESTROLA,B1TT60.73
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.73
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.76
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.76
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.76
BDBA,B1KE30.72
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE		A,B1O7P0.77
TBT8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-
8,9,10-TRIOL		A1DJD0.73
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
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.72
SS2(1R)-1-PHENYLETHANOLA1ZK00.8
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.8
SS2(1R)-1-PHENYLETHANOLA1ZJY0.8
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.73
DFADIPHENYLACETIC ACIDA,B,C1GMY0.74
PEL2-PHENYL-ETHANOLA,B1I0D0.84
PEL2-PHENYL-ETHANOLD,H2I0T0.84
PEL2-PHENYL-ETHANOLA,B1HZY0.84
PEL2-PHENYL-ETHANOLA,B1I0B0.84
PEL2-PHENYL-ETHANOLA1EYW0.84
PEL2-PHENYL-ETHANOLA,B1JGM0.84
OBZO-benzylhydroxylamineA,B3DTH0.7
OBZO-benzylhydroxylamineA,B3DTG0.7
269(1R)-3-chloro-1-phenylpropan-1-
ol		A2RBS0.75
FLPFLURBIPROFENA,B,C,D3PGH0.71
FLPFLURBIPROFENA,B1CQE0.71
FLPFLURBIPROFENA,B1EQH0.71
FLPFLURBIPROFENA,B2AYL0.71
FLPFLURBIPROFENA1DVT0.71
FLPFLURBIPROFENA1R9O0.71
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.76
B08A,B2E990.76
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.75
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.7
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.7
BFLA,B1Q4G0.73
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.72
2PMN-[2-(BENZHYDRYLOXY)ETHYL]-N,N-
DIMETHYLAMINE		A,B2AOT0.71
COR2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANEA9HVP0.76
IBPIBUPROFENA3FKX0.71
IBPIBUPROFENA,B2BXG0.71
IBPIBUPROFENA,B1EQG0.71
IBPIBUPROFENA,B,C2WD90.71
IBPIBUPROFENA2PWS0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.71
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.73
SS11-PHENYLETHANOLH1UM50.8
12M(2-ETHYLPHENYL)METHANOLA,B2F620.78
MNN(S)-MANDELIC ACID NITRILEA1YB60.75
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.72
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.72
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.74
341(3,5-difluorophenyl)methanolC3EON0.71
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.83
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.72
EPTHEPTANYL-P-PHENOLA,B1AHZ0.71