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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02371949

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
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.78
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.76
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.76
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE
C,D,E1SQQ0.78
TRZTRAZEOLIDEA1C120.79
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
0A9methyl L-phenylalaninateA1AY20.73
0A9methyl L-phenylalaninateI5ER10.73
0A9methyl L-phenylalaninateI,P1HDT0.73
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.79
IBPIBUPROFENA3FKX0.84
IBPIBUPROFENA,B2BXG0.84
IBPIBUPROFENA,B1EQG0.84
IBPIBUPROFENA,B,C2WD90.84
IBPIBUPROFENA2PWS0.84
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.77
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.77
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.77
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.77
LLG2-aminoethyl naphthalen-1-ylacetateA3BC40.71
4PH4-methyl-L-phenylalanineB,C3BV90.72
R133-METHYL-7-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL) -OCTA-2,4,6-TRIENOIC ACID
A2CBS0.7
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
1VQ60.74
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA,B1C1X0.74
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
1VQP0.74
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
1VQN0.74
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1QRP0.74
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA2CTC0.74
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E820.74
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E810.74
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.75
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.75
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID
A1XAP0.7
BFLA,B1Q4G0.8
ARL7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA-
2,4,6-TRIENOIC ACID
A1NQ70.71
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.85
4MA4-METHYLBENZOIC ACIDA,H2HRG0.71
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
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.77
HY1PHENYLACETALDEHYDED,H2I0S0.72
HY1PHENYLACETALDEHYDEA,B1D6Y0.72
HY1PHENYLACETALDEHYDEA,B1D6Z0.72
HY1PHENYLACETALDEHYDED,H2OK40.72
HY1PHENYLACETALDEHYDEA,B1D6U0.72
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
ANQACENAPHTHENEQUINONEH,J1OAX0.7
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.75
IN4+/-METHYL 4-(AMINOIMINOMETHYL)-
BETA-[3- INH (AMINOIMINO)PHENYL]BENZENE PENTANOATE
A1AZ80.71
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA2NNV0.73
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA,B2NN70.73
7912-PHENYLMALONIC ACIDA1O4P0.76
3PL3-PHENYLPROPANALE1Y3G0.72
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.81
APD3-METHYLPHENYLALANINEA,B,C1GMY0.72
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
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.79
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.81
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.81
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.81
173BENZOYL-FORMIC ACIDA,B1SZE0.71
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.73
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.79
1LPTRANYLCYPROMINEA,B1OJB0.74
IGLALPHA-AMINO-2-INDANACETIC ACIDA1BDK0.75
DFADIPHENYLACETIC ACIDA,B,C1GMY0.78
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE
A6UPJ0.73
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.83
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.83
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.83
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.83
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.83
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.83
BZSL-BENZYLSUCCINIC ACIDA1CBX0.77
BZSL-BENZYLSUCCINIC ACIDA1HYT0.77
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.77
CLT4-PHENYL-BUTANOIC ACIDA1THL0.81
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.81
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.81
5PV5-PHENYLVALERIC ACIDA,B2AY90.83
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.77
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.77