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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02520078

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SMN(S)-MANDELIC ACIDA1MDL0.77
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.77
173BENZOYL-FORMIC ACIDA,B1SZE0.73
UIN5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-
3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-
2-ONE		B5UPJ0.73
FLPFLURBIPROFENA,B,C,D3PGH0.77
FLPFLURBIPROFENA,B1CQE0.77
FLPFLURBIPROFENA,B1EQH0.77
FLPFLURBIPROFENA,B2AYL0.77
FLPFLURBIPROFENA1DVT0.77
FLPFLURBIPROFENA1R9O0.77
HTQHOMOTROPINEA,B,C2DQZ0.71
HTQHOMOTROPINEA,B,C,D,E,F1MX50.71
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.74
FBCA,B2B9A0.71
CLT4-PHENYL-BUTANOIC ACIDA1THL0.75
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.75
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.75
S1ASORAPHEN AA,B3GID0.74
S1ASORAPHEN AA,B,C1W960.74
4FCA1YSG0.71
HCIHYDROCINNAMIC ACIDA,B1BXG0.74
HCIHYDROCINNAMIC ACIDA,B1TOG0.74
HCIHYDROCINNAMIC ACIDA,B1V2F0.74
HCIHYDROCINNAMIC ACIDA,B1AHX0.74
HCIHYDROCINNAMIC ACIDA1TOI0.74
HCIHYDROCINNAMIC ACIDA,B1AY80.74
HCIHYDROCINNAMIC ACIDA1TOJ0.74
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.75
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.75
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.73
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
BFLA,B1Q4G0.8
BZSL-BENZYLSUCCINIC ACIDA1CBX0.76
BZSL-BENZYLSUCCINIC ACIDA1HYT0.76
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.76
BYS2-BENZO[1,3]DIOXOL-5-YLMETHYL-3-
BENZYL-SUCCINIC ACID		A,B1JJE0.7
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.77
26CA,B2F7I0.71
IBPIBUPROFENA3FKX0.78
IBPIBUPROFENA,B2BXG0.78
IBPIBUPROFENA,B1EQG0.78
IBPIBUPROFENA,B,C2WD90.78
IBPIBUPROFENA2PWS0.78
5PV5-PHENYLVALERIC ACIDA,B2AY90.75
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.75
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.75
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.75
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.75
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.75
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.75
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE		C,D,E1SQQ0.75
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.75
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.75
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.75
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.75
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.72
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.77
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.77
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.77
DFADIPHENYLACETIC ACIDA,B,C1GMY0.81
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.83
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.83
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.74
OSB2-SUCCINYLBENZOATEA1FHV0.7
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.7
OSB2-SUCCINYLBENZOATEA,B2QVH0.7
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.73
OX1H,Y1LO20.74
PAC2-PHENYLACETIC ACIDB1PNL0.75
PAC2-PHENYLACETIC ACIDB1K5Q0.75
PAC2-PHENYLACETIC ACIDB1FXH0.75
PAC2-PHENYLACETIC ACIDA2ISF0.75
PAC2-PHENYLACETIC ACIDA2INE0.75
ODEDIETHYL (1R,2S,3R,4S)-5,6-BIS(4-
HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-
5-ENE-2,3-DICARBOXYLATE		A,B2QH60.74
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3B3K0.75
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3D6D0.75
7912-PHENYLMALONIC ACIDA1O4P0.76
LLG2-aminoethyl naphthalen-1-ylacetateA3BC40.7
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
TRZTRAZEOLIDEA1C120.7
RP4(1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-
(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-
1-CARBOXYLIC ACID		A,B,C,D,E,F,
G,H,I,J,K,L		2CJF0.74
RMN(R)-MANDELIC ACIDA1MDL0.77
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		1MCZ0.77
CA2(1S,3R,4R,5S)-1,3,4-TRIHYDROXY-
5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC ACID		A,B,C,D,E,F,
G,H,I,J,K,L		2BT40.72
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid		A,B2RJR0.74
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID		A,B2GH50.7
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		1VQ60.81
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA,B1C1X0.81
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		1VQP0.81
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		1VQN0.81
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1QRP0.81
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA2CTC0.81
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E820.81
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E810.81
MAXMATAIRESINOLA2BGM0.75
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE		A6UPJ0.73
BM64-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-
2-YL]-BENZOIC ACID		A1MVC0.71
BM64-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-
2-YL]-BENZOIC ACID		A,C,E,G1MZN0.71
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.79
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.79
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.79
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.79
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.77
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.77
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.74