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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03027033

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.8
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.77
PAC2-PHENYLACETIC ACIDB1PNL0.8
PAC2-PHENYLACETIC ACIDB1K5Q0.8
PAC2-PHENYLACETIC ACIDB1FXH0.8
PAC2-PHENYLACETIC ACIDA2ISF0.8
PAC2-PHENYLACETIC ACIDA2INE0.8
DFADIPHENYLACETIC ACIDA,B,C1GMY0.83
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.75
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.75
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.75
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.75
ISFA,B1PGE0.75
5PV5-PHENYLVALERIC ACIDA,B2AY90.78
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE
A6UPJ0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.84
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.84
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.84
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.84
SMN(S)-MANDELIC ACIDA1MDL0.7
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.75
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.76
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.76
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID
A1XAP0.7
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.85
IBPIBUPROFENA3FKX0.86
IBPIBUPROFENA,B2BXG0.86
IBPIBUPROFENA,B1EQG0.86
IBPIBUPROFENA,B,C2WD90.86
IBPIBUPROFENA2PWS0.86
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.75
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.75
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.75
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.75
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.77
HCIHYDROCINNAMIC ACIDA,B1BXG0.77
HCIHYDROCINNAMIC ACIDA,B1TOG0.77
HCIHYDROCINNAMIC ACIDA,B1V2F0.77
HCIHYDROCINNAMIC ACIDA,B1AHX0.77
HCIHYDROCINNAMIC ACIDA1TOI0.77
HCIHYDROCINNAMIC ACIDA,B1AY80.77
HCIHYDROCINNAMIC ACIDA1TOJ0.77
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
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.71
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.71
173BENZOYL-FORMIC ACIDA,B1SZE0.72
7912-PHENYLMALONIC ACIDA1O4P0.79
4MA4-METHYLBENZOIC ACIDA,H2HRG0.73
BZSL-BENZYLSUCCINIC ACIDA1CBX0.75
BZSL-BENZYLSUCCINIC ACIDA1HYT0.75
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.75
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.73
4FCA1YSG0.72
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.71
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.71
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE
C,D,E1SQQ0.71
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B1KDG0.73
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B,C,D1O9L0.73
CPMS-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-
S-METHANE
A1CPS0.87
FBCA,B2B9A0.72
M283-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACIDA,B2NN10.71
M283-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACIDA2NNO0.71
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA1NX30.79
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA,B1ALW0.79
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.72
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.72
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.8
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.8
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.8
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.8
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.8
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.8
UIN5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-
3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-
2-ONE
B5UPJ0.71
BFLA,B1Q4G0.85
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.73
FLPFLURBIPROFENA,B,C,D3PGH0.82
FLPFLURBIPROFENA,B1CQE0.82
FLPFLURBIPROFENA,B1EQH0.82
FLPFLURBIPROFENA,B2AYL0.82
FLPFLURBIPROFENA1DVT0.82
FLPFLURBIPROFENA1R9O0.82
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.8
CLT4-PHENYL-BUTANOIC ACIDA1THL0.76
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.76
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.76
26CA,B2F7I0.72
RMN(R)-MANDELIC ACIDA1MDL0.7
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MCZ0.7
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.7
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.7