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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02999299

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.71
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
1VQ60.75
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
HY1PHENYLACETALDEHYDED,H2I0S0.73
HY1PHENYLACETALDEHYDEA,B1D6Y0.73
HY1PHENYLACETALDEHYDEA,B1D6Z0.73
HY1PHENYLACETALDEHYDED,H2OK40.73
HY1PHENYLACETALDEHYDEA,B1D6U0.73
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.77
2UN{4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)-
3-OXOPROPYL]PHENYL}SULFAMIC ACID
A,B2H020.7
CP5(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}-
2-PHENYLACRYLATE
A1SCW0.74
0A9methyl L-phenylalaninateA1AY20.73
0A9methyl L-phenylalaninateI5ER10.73
0A9methyl L-phenylalaninateI,P1HDT0.73
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.77
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDI1EPL0.71
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDA,B,C,D2IFW0.71
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDE,I1EPM0.71
173BENZOYL-FORMIC ACIDA,B1SZE0.7
CPMS-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-
S-METHANE
A1CPS0.74
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.71
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.71
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.72
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.71
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE
C,D,E1SQQ0.75
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA1NX30.73
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA,B1ALW0.73
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.78
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.78
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.78
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.78
UIN5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-
3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-
2-ONE
B5UPJ0.72
FLPFLURBIPROFENA,B,C,D3PGH0.73
FLPFLURBIPROFENA,B1CQE0.73
FLPFLURBIPROFENA,B1EQH0.73
FLPFLURBIPROFENA,B2AYL0.73
FLPFLURBIPROFENA1DVT0.73
FLPFLURBIPROFENA1R9O0.73
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.78
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
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.71
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.76
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.76
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.76
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.76
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE
A6UPJ0.72
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.77
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.77
SMN(S)-MANDELIC ACIDA1MDL0.71
CLT4-PHENYL-BUTANOIC ACIDA1THL0.8
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.8
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.8
DFADIPHENYLACETIC ACIDA,B,C1GMY0.75
7912-PHENYLMALONIC ACIDA1O4P0.83
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,M,N1FJM0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVA0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1LCM0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,C,D,E,F,
G,H
2NYM0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,I2IE30.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,F,X,Y2NPP0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVC0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,F,G,H3DW80.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,C,D,E,F,
G,H
2NYL0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVD0.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVB0.7
PAC2-PHENYLACETIC ACIDB1PNL0.78
PAC2-PHENYLACETIC ACIDB1K5Q0.78
PAC2-PHENYLACETIC ACIDB1FXH0.78
PAC2-PHENYLACETIC ACIDA2ISF0.78
PAC2-PHENYLACETIC ACIDA2INE0.78
1LPTRANYLCYPROMINEA,B1OJB0.73
BZSL-BENZYLSUCCINIC ACIDA1CBX0.78
BZSL-BENZYLSUCCINIC ACIDA1HYT0.78
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.78
HCIHYDROCINNAMIC ACIDA,B1BXG0.81
HCIHYDROCINNAMIC ACIDA,B1TOG0.81
HCIHYDROCINNAMIC ACIDA,B1V2F0.81
HCIHYDROCINNAMIC ACIDA,B1AHX0.81
HCIHYDROCINNAMIC ACIDA1TOI0.81
HCIHYDROCINNAMIC ACIDA,B1AY80.81
HCIHYDROCINNAMIC ACIDA1TOJ0.81
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.71
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.71
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.71
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.71
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.76
BFLA,B1Q4G0.75
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.72
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.73
5PV5-PHENYLVALERIC ACIDA,B2AY90.82
3PL3-PHENYLPROPANALE1Y3G0.74
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.82
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.82
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.82
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.82
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.82
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.82
IBPIBUPROFENA3FKX0.79
IBPIBUPROFENA,B2BXG0.79
IBPIBUPROFENA,B1EQG0.79
IBPIBUPROFENA,B,C2WD90.79
IBPIBUPROFENA2PWS0.79
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.82
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA2NNV0.77
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA,B2NN70.77