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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02349474

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.73
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA1NX30.7
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA,B1ALW0.7
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.7
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.73
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.71
12M(2-ETHYLPHENYL)METHANOLA,B2F620.76
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
CPMS-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-
S-METHANE
A1CPS0.73
RSOR-STYRENE OXIDEA,B1PWZ0.7
SS2(1R)-1-PHENYLETHANOLA1ZK00.8
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.8
SS2(1R)-1-PHENYLETHANOLA1ZJY0.8
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
PMSBENZYLSULFINIC ACIDB1PNM0.72
PMSBENZYLSULFINIC ACIDA,B1SH70.72
PMSBENZYLSULFINIC ACIDB,C1BB00.72
PMSBENZYLSULFINIC ACIDA,B1S2N0.72
PMSBENZYLSULFINIC ACIDA,B1WB80.72
PMSBENZYLSULFINIC ACIDA,B,C3CE40.72
PMSBENZYLSULFINIC ACIDA,B1Y9Z0.72
PMSBENZYLSULFINIC ACIDA3H180.72
PMSBENZYLSULFINIC ACIDA3H170.72
PMSBENZYLSULFINIC ACIDA2CBG0.72
PMSBENZYLSULFINIC ACIDA1SUP0.72
PMSBENZYLSULFINIC ACIDA,B1V6C0.72
PMSBENZYLSULFINIC ACIDA,B1WPR0.72
PMSBENZYLSULFINIC ACIDA,B1EQ90.72
PMSBENZYLSULFINIC ACIDA,B1AUR0.72
PMSBENZYLSULFINIC ACIDA1KLT0.72
PMSBENZYLSULFINIC ACIDB,C1CA80.72
PMSBENZYLSULFINIC ACIDA2GKO0.72
PMSBENZYLSULFINIC ACIDB,C,D1BA80.72
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.73
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.78
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.73
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.72
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.72
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.71
CGTCARBA-GLUCOTROPAEOLINM1W9B0.72
SS11-PHENYLETHANOLH1UM50.8
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.77
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.83
MNN(S)-MANDELIC ACID NITRILEA1YB60.73