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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02881047

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
PHLL-PHENYLALANINOLA,B1JOH0.71
PHLL-PHENYLALANINOLI3APR0.71
PHLL-PHENYLALANINOLA1DLZ0.71
PHLL-PHENYLALANINOLA1IH90.71
PHLL-PHENYLALANINOLA1OB40.71
PHLL-PHENYLALANINOLI2ER60.71
PHLL-PHENYLALANINOLA1R9U0.71
PHLL-PHENYLALANINOLA1OB70.71
PHLL-PHENYLALANINOLA,B1OB60.71
PHLL-PHENYLALANINOLA,B,C1AMT0.71
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZSF0.72
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A1JLD0.72
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDA0.72
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDB0.72
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1Z8C0.72
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZBG0.72
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZPK0.72
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
1VQ60.75
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA,B1C1X0.75
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
1VQP0.75
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
1VQN0.75
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1QRP0.75
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA2CTC0.75
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E820.75
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E810.75
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.7
341(3,5-difluorophenyl)methanolC3EON0.74
5PV5-PHENYLVALERIC ACIDA,B2AY90.7
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.71
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.86
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.76
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1ZSR0.72
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZJ70.72
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZLF0.72
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEG0.72
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1FQX0.72
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1IIQ0.72
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEF0.72
RSOR-STYRENE OXIDEA,B1PWZ0.75
12M(2-ETHYLPHENYL)METHANOLA,B2F620.79
SS2(1R)-1-PHENYLETHANOLA1ZK00.83
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.83
SS2(1R)-1-PHENYLETHANOLA1ZJY0.83
PEL2-PHENYL-ETHANOLA,B1I0D0.87
PEL2-PHENYL-ETHANOLD,H2I0T0.87
PEL2-PHENYL-ETHANOLA,B1HZY0.87
PEL2-PHENYL-ETHANOLA,B1I0B0.87
PEL2-PHENYL-ETHANOLA1EYW0.87
PEL2-PHENYL-ETHANOLA,B1JGM0.87
CLT4-PHENYL-BUTANOIC ACIDA1THL0.7
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.7
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.7
RMN(R)-MANDELIC ACIDA1MDL0.71
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MCZ0.71
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.71
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.71
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.75
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.75
2NAnaphthalen-2-ylmethanolA,B,C3EE50.71
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.93
MNN(S)-MANDELIC ACID NITRILEA1YB60.78
SMN(S)-MANDELIC ACIDA1MDL0.71
PHK(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-
BUTAN-2-OL
A1MU00.82
PHK(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-
BUTAN-2-OL
A1XRL0.82
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.73
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.73
OBZO-benzylhydroxylamineA,B3DTH0.73
OBZO-benzylhydroxylamineA,B3DTG0.73
HCIHYDROCINNAMIC ACIDA,B1BXG0.71
HCIHYDROCINNAMIC ACIDA,B1TOG0.71
HCIHYDROCINNAMIC ACIDA,B1V2F0.71
HCIHYDROCINNAMIC ACIDA,B1AHX0.71
HCIHYDROCINNAMIC ACIDA1TOI0.71
HCIHYDROCINNAMIC ACIDA,B1AY80.71
HCIHYDROCINNAMIC ACIDA1TOJ0.71
SS11-PHENYLETHANOLH1UM50.83
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.76
TA2(2R,3S)-3-AMINO-3-PHENYLPROPANE-
1,2-DIOL
A,B2IFR0.7
2LP2-ALLYLPHENOLA1OV50.72
TBC(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENEA1N8C0.7
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.71
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.84
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.78
PAC2-PHENYLACETIC ACIDB1PNL0.72
PAC2-PHENYLACETIC ACIDB1K5Q0.72
PAC2-PHENYLACETIC ACIDB1FXH0.72
PAC2-PHENYLACETIC ACIDA2ISF0.72
PAC2-PHENYLACETIC ACIDA2INE0.72