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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02826174

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1ZN(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-
2,6,8-trimethyl-10-phenyldeca-4,6-
dienoic acid		C,F,M,N2IAE0.78
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
PG9D-PHENYLGLYCINEA,B,G,H10GS0.7
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.7
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE		C,D,E1SQQ0.7
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.7
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE		A6UPJ0.71
7912-PHENYLMALONIC ACIDA1O4P0.78
5PV5-PHENYLVALERIC ACIDA,B2AY90.72
IGLALPHA-AMINO-2-INDANACETIC ACIDA1BDK0.71
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.72
LLG2-aminoethyl naphthalen-1-ylacetateA3BC40.71
OIN(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-
3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE		A1TH60.86
OIN(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-
3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE		A2ARM0.86
IBPIBUPROFENA3FKX0.78
IBPIBUPROFENA,B2BXG0.78
IBPIBUPROFENA,B1EQG0.78
IBPIBUPROFENA,B,C2WD90.78
IBPIBUPROFENA2PWS0.78
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.78
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.78
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.78
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A,B,M,N1FJM0.79
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVA0.79
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1LCM0.79
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A,B,C,D,E,F,
G,H		2NYM0.79
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		C,I2IE30.79
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		C,F,X,Y2NPP0.79
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVC0.79
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		C,F,G,H3DW80.79
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A,B,C,D,E,F,
G,H		2NYL0.79
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVD0.79
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVB0.79
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.73
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.74
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.74
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.74
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.74
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.74
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.74
CLT4-PHENYL-BUTANOIC ACIDA1THL0.7
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.7
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.7
FLPFLURBIPROFENA,B,C,D3PGH0.73
FLPFLURBIPROFENA,B1CQE0.73
FLPFLURBIPROFENA,B1EQH0.73
FLPFLURBIPROFENA,B2AYL0.73
FLPFLURBIPROFENA1DVT0.73
FLPFLURBIPROFENA1R9O0.73
CT1(1R)-2-METHYL-1-(PHENYLMETHYL)PROPYL[(1S)-
1-FORMYLPENTYL]CARBAMATE		A2AUX0.72
LOBLOBELINEA,B,C,D,E,F,
G,H,I,J		2BYS0.71
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		1VQ60.72
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA,B1C1X0.72
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		1VQP0.72
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		1VQN0.72
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1QRP0.72
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA2CTC0.72
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E820.72
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E810.72
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.7
COCCOCAINEA,C1I7Z0.72
COCCOCAINEH1Q720.72
COCCOCAINEL2AJV0.72
COCCOCAINEA,B,C,D,E2PGZ0.72
MEAN-METHYLPHENYLALANINEA2PIL0.7
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.7
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.7
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.71
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.71
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.71
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.71
MPQN-METHYL-ALPHA-PHENYL-GLYCINED1D6E0.71
TGN3-(HYDROXY-PHENYL-PHOSPHINOYLOXY)-
8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-
2-CARBOXYLIC ACID METHYL ESTER		L2AJX0.71
MFD(2S,3S,8S,9S)-3-AMINO-9-METHOXY-
2,6,8-TRIMETHYL-10-PHENYLDECA-4,6-
DIENOIC ACID		A1AY30.78
23N(2R)-2-benzyl-3-nitropropanoic acidA2RFH0.71
DFADIPHENYLACETIC ACIDA,B,C1GMY0.75
PAC2-PHENYLACETIC ACIDB1PNL0.74
PAC2-PHENYLACETIC ACIDB1K5Q0.74
PAC2-PHENYLACETIC ACIDB1FXH0.74
PAC2-PHENYLACETIC ACIDA2ISF0.74
PAC2-PHENYLACETIC ACIDA2INE0.74
15M(5Z)-7-{(1R,2R,3R,5S)-3,5-DIHYDROXY-
2-[(1E,3S)-3-HYDROXY-5-PHENYLPENT-
1-ENYL]CYCLOPENTYL}-N-ETHYLHEPT-
5-ENAMIDE		A2F380.72
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.73
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.73
UIN5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-
3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-
2-ONE		B5UPJ0.71
BCG3-(BENZOYLOXY)-8-METHYL-8-AZABICYCLO[3.2.1]OCTANE-
2-CARBOXYLIC ACID		H1QYG0.74
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
HTQHOMOTROPINEA,B,C2DQZ0.75
HTQHOMOTROPINEA,B,C,D,E,F1MX50.75
CT21-(PHENYLMETHYL)CYCLOPENTYL[(1S)-
1-FORMYLPENTYL]CARBAMATE		A2AUZ0.74
BFLA,B1Q4G0.75
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.71
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDI1EPL0.73
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDA,B,C,D2IFW0.73
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDE,I1EPM0.73
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.71
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.71