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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02250840

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RMN(R)-MANDELIC ACIDA1MDL0.82
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		1MCZ0.82
CPMS-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-
S-METHANE		A1CPS0.72
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.73
CLT4-PHENYL-BUTANOIC ACIDA1THL0.75
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.75
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.75
5PV5-PHENYLVALERIC ACIDA,B2AY90.77
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.72
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.75
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.77
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.77
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.77
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.77
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.77
173BENZOYL-FORMIC ACIDA,B1SZE0.74
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
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.9
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.9
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.74
FLPFLURBIPROFENA,B,C,D3PGH0.75
FLPFLURBIPROFENA,B1CQE0.75
FLPFLURBIPROFENA,B1EQH0.75
FLPFLURBIPROFENA,B2AYL0.75
FLPFLURBIPROFENA1DVT0.75
FLPFLURBIPROFENA1R9O0.75
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.74
UIN5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-
3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-
2-ONE		B5UPJ0.72
1ZN(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-
2,6,8-trimethyl-10-phenyldeca-4,6-
dienoic acid		C,F,M,N2IAE0.74
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.8
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.8
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.8
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.8
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid		A,B2RJR0.77
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A,B,M,N1FJM0.75
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVA0.75
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1LCM0.75
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A,B,C,D,E,F,
G,H		2NYM0.75
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		C,I2IE30.75
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		C,F,X,Y2NPP0.75
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVC0.75
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		C,F,G,H3DW80.75
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A,B,C,D,E,F,
G,H		2NYL0.75
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVD0.75
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVB0.75
BFLA,B1Q4G0.78
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE		A6UPJ0.72
7912-PHENYLMALONIC ACIDA1O4P0.76
HTQHOMOTROPINEA,B,C2DQZ0.72
HTQHOMOTROPINEA,B,C,D,E,F1MX50.72
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.73
OIN(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-
3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE		A1TH60.71
OIN(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-
3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE		A2ARM0.71
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.79
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.79
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.79
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.79
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.79
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.79
BZSL-BENZYLSUCCINIC ACIDA1CBX0.74
BZSL-BENZYLSUCCINIC ACIDA1HYT0.74
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.74
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.81
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.81
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.81
DFADIPHENYLACETIC ACIDA,B,C1GMY0.77
SMN(S)-MANDELIC ACIDA1MDL0.82
MFD(2S,3S,8S,9S)-3-AMINO-9-METHOXY-
2,6,8-TRIMETHYL-10-PHENYLDECA-4,6-
DIENOIC ACID		A1AY30.74
HCIHYDROCINNAMIC ACIDA,B1BXG0.76
HCIHYDROCINNAMIC ACIDA,B1TOG0.76
HCIHYDROCINNAMIC ACIDA,B1V2F0.76
HCIHYDROCINNAMIC ACIDA,B1AHX0.76
HCIHYDROCINNAMIC ACIDA1TOI0.76
HCIHYDROCINNAMIC ACIDA,B1AY80.76
HCIHYDROCINNAMIC ACIDA1TOJ0.76
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.79
S1ASORAPHEN AA,B3GID0.71
S1ASORAPHEN AA,B,C1W960.71
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.7
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		1VQ60.87
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA,B1C1X0.87
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		1VQP0.87
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		1VQN0.87
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1QRP0.87
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA2CTC0.87
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E820.87
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E810.87
HHH(2S)-hydroxy(4-hydroxyphenyl)ethanoic acidA,B2R5V0.73
IBPIBUPROFENA3FKX0.79
IBPIBUPROFENA,B2BXG0.79
IBPIBUPROFENA,B1EQG0.79
IBPIBUPROFENA,B,C2WD90.79
IBPIBUPROFENA2PWS0.79
CIOCILOMILASTA,B1XOM0.71
CIOCILOMILASTA,B1XLX0.71
MNN(S)-MANDELIC ACID NITRILEA1YB60.73
PAC2-PHENYLACETIC ACIDB1PNL0.77
PAC2-PHENYLACETIC ACIDB1K5Q0.77
PAC2-PHENYLACETIC ACIDB1FXH0.77
PAC2-PHENYLACETIC ACIDA2ISF0.77
PAC2-PHENYLACETIC ACIDA2INE0.77
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.72
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.72