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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02550405

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.73
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.73
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.73
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.73
SMN(S)-MANDELIC ACIDA1MDL0.72
4PH4-methyl-L-phenylalanineB,C3BV90.7
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.78
UIN5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-
3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-
2-ONE		B5UPJ0.73
0A9methyl L-phenylalaninateA1AY20.73
0A9methyl L-phenylalaninateI5ER10.73
0A9methyl L-phenylalaninateI,P1HDT0.73
C0E3-fluoro-6-(4-fluorophenyl)-2-hydroxy-
6-oxohexa-2,4-dienoic acid		A2RHW0.71
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid		A,B2RJR0.76
4FCA1YSG0.71
AC01-PHENYLETHANONEA1ZK10.72
AC01-PHENYLETHANONEA1ZK40.72
23N(2R)-2-benzyl-3-nitropropanoic acidA2RFH0.7
173BENZOYL-FORMIC ACIDA,B1SZE0.74
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE		C,D,E1SQQ0.73
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A,B,M,N1FJM0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVA0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1LCM0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A,B,C,D,E,F,
G,H		2NYM0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		C,I2IE30.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		C,F,X,Y2NPP0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVC0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		C,F,G,H3DW80.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A,B,C,D,E,F,
G,H		2NYL0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVD0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVB0.71
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.71
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.71
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.85
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.85
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.85
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.85
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.85
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.85
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.78
CP5(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}-
2-PHENYLACRYLATE		A1SCW0.72
PAC2-PHENYLACETIC ACIDB1PNL0.79
PAC2-PHENYLACETIC ACIDB1K5Q0.79
PAC2-PHENYLACETIC ACIDB1FXH0.79
PAC2-PHENYLACETIC ACIDA2ISF0.79
PAC2-PHENYLACETIC ACIDA2INE0.79
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.7
HY1PHENYLACETALDEHYDED,H2I0S0.72
HY1PHENYLACETALDEHYDEA,B1D6Y0.72
HY1PHENYLACETALDEHYDEA,B1D6Z0.72
HY1PHENYLACETALDEHYDED,H2OK40.72
HY1PHENYLACETALDEHYDEA,B1D6U0.72
BZSL-BENZYLSUCCINIC ACIDA1CBX0.79
BZSL-BENZYLSUCCINIC ACIDA1HYT0.79
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.79
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.85
CPMS-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-
S-METHANE		A1CPS0.75
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA1NX30.74
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA,B1ALW0.74
IBPIBUPROFENA3FKX0.8
IBPIBUPROFENA,B2BXG0.8
IBPIBUPROFENA,B1EQG0.8
IBPIBUPROFENA,B,C2WD90.8
IBPIBUPROFENA2PWS0.8
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.7
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID		A,B2GH50.73
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.7
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.81
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.81
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.81
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.81
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.83
APD3-METHYLPHENYLALANINEA,B,C1GMY0.7
BFLA,B1Q4G0.78
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA2NNV0.73
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA,B2NN70.73
FBCA,B2B9A0.7
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.73
3PL3-PHENYLPROPANALE1Y3G0.72
PFF4-FLUORO-L-PHENYLALANINEA3F3C0.72
PFF4-FLUORO-L-PHENYLALANINEA,C,E,F2UUE0.72
PFF4-FLUORO-L-PHENYLALANINEA1ZNT0.72
PFF4-FLUORO-L-PHENYLALANINEF,H1OL10.72
PFF4-FLUORO-L-PHENYLALANINEA,C,F,H2C5V0.72
PFF4-FLUORO-L-PHENYLALANINEE,F1OL20.72
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.77
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.77
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.72
HCIHYDROCINNAMIC ACIDA,B1BXG0.82
HCIHYDROCINNAMIC ACIDA,B1TOG0.82
HCIHYDROCINNAMIC ACIDA,B1V2F0.82
HCIHYDROCINNAMIC ACIDA,B1AHX0.82
HCIHYDROCINNAMIC ACIDA1TOI0.82
HCIHYDROCINNAMIC ACIDA,B1AY80.82
HCIHYDROCINNAMIC ACIDA1TOJ0.82
FLPFLURBIPROFENA,B,C,D3PGH0.81
FLPFLURBIPROFENA,B1CQE0.81
FLPFLURBIPROFENA,B1EQH0.81
FLPFLURBIPROFENA,B2AYL0.81
FLPFLURBIPROFENA1DVT0.81
FLPFLURBIPROFENA1R9O0.81
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDI1EPL0.7
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDA,B,C,D2IFW0.7
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDE,I1EPM0.7
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.81
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.81
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.81
RMN(R)-MANDELIC ACIDA1MDL0.72
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		1MCZ0.72
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		1VQ60.76
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
26CA,B2F7I0.7
7912-PHENYLMALONIC ACIDA1O4P0.82
1LPTRANYLCYPROMINEA,B1OJB0.74
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.83
DFADIPHENYLACETIC ACIDA,B,C1GMY0.78
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE		A6UPJ0.73
CLT4-PHENYL-BUTANOIC ACIDA1THL0.81
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.81
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.81
5PV5-PHENYLVALERIC ACIDA,B2AY90.83
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.81