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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02875005

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.71
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.8
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID
A1XAP0.73
UIN5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-
3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-
2-ONE
B5UPJ0.73
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.72
7912-PHENYLMALONIC ACIDA1O4P0.78
HSI(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACIDA2Z2D0.71
PHTPHTHALIC ACIDA,B,C2B7P0.71
PHTPHTHALIC ACIDA3C2V0.71
PHTPHTHALIC ACIDA,B,C,D,E,F1QPR0.71
PHTPHTHALIC ACIDA,B3C2R0.71
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.7
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.7
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
1VQ60.78
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA,B1C1X0.78
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
1VQP0.78
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
1VQN0.78
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1QRP0.78
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA2CTC0.78
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E820.78
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E810.78
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDH,I1A2C0.73
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C1CA70.73
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C,D3GGO0.73
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.78
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.78
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.78
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.78
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.8
PAC2-PHENYLACETIC ACIDB1PNL0.81
PAC2-PHENYLACETIC ACIDB1K5Q0.81
PAC2-PHENYLACETIC ACIDB1FXH0.81
PAC2-PHENYLACETIC ACIDA2ISF0.81
PAC2-PHENYLACETIC ACIDA2INE0.81
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.71
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.77
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.73
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.73
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE
C,D,E1SQQ0.74
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J2FIV0.72
ALNNAPHTHALEN-2-YL-3-ALANINEA,B1B0H0.72
ALNNAPHTHALEN-2-YL-3-ALANINEB1FIV0.72
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J3FIV0.72
BFLA,B1Q4G0.83
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA1NX30.74
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA,B1ALW0.74
FLPFLURBIPROFENA,B,C,D3PGH0.85
FLPFLURBIPROFENA,B1CQE0.85
FLPFLURBIPROFENA,B1EQH0.85
FLPFLURBIPROFENA,B2AYL0.85
FLPFLURBIPROFENA1DVT0.85
FLPFLURBIPROFENA1R9O0.85
SMN(S)-MANDELIC ACIDA1MDL0.75
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.75
TFQ4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINEA3D6V0.73
4FCA1YSG0.77
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.87
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.87
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.87
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.87
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.72
APAAMIDO PHENYL PYRUVIC ACIDH,I1AHT0.71
APAAMIDO PHENYL PYRUVIC ACIDA,B,C,D1A0L0.71
APAAMIDO PHENYL PYRUVIC ACIDA1TPP0.71
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.71
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.71
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.81
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.81
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.81
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.81
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.81
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.81
PFF4-FLUORO-L-PHENYLALANINEA3F3C0.7
PFF4-FLUORO-L-PHENYLALANINEA,C,E,F2UUE0.7
PFF4-FLUORO-L-PHENYLALANINEA1ZNT0.7
PFF4-FLUORO-L-PHENYLALANINEF,H1OL10.7
PFF4-FLUORO-L-PHENYLALANINEA,C,F,H2C5V0.7
PFF4-FLUORO-L-PHENYLALANINEE,F1OL20.7
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.76
173BENZOYL-FORMIC ACIDA,B1SZE0.8
APD3-METHYLPHENYLALANINEA,B,C1GMY0.7
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.81
FBCA,B2B9A0.78
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.73
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.73
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.73
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.73
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.71
4HP4-HYDROXYPHENYLACETATEA2YYJ0.71
4HP4-HYDROXYPHENYLACETATEA2YYM0.71
4HP4-HYDROXYPHENYLACETATEB1AI60.71
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.71
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.73
DFADIPHENYLACETIC ACIDA,B,C1GMY0.85
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.81
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.71
PIC6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-
2-CARBOXYLIC ACID
A1BZJ0.74
RMN(R)-MANDELIC ACIDA1MDL0.75
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MCZ0.75
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.84
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.84
CLT4-PHENYL-BUTANOIC ACIDA1THL0.8
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.8
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.8
CPMS-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-
S-METHANE
A1CPS0.71
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
OX1H,Y1LO20.72
OSB2-SUCCINYLBENZOATEA1FHV0.75
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.75
OSB2-SUCCINYLBENZOATEA,B2QVH0.75
TRZTRAZEOLIDEA1C120.74
26CA,B2F7I0.78
HCIHYDROCINNAMIC ACIDA,B1BXG0.81
HCIHYDROCINNAMIC ACIDA,B1TOG0.81
HCIHYDROCINNAMIC ACIDA,B1V2F0.81
HCIHYDROCINNAMIC ACIDA,B1AHX0.81
HCIHYDROCINNAMIC ACIDA1TOI0.81
HCIHYDROCINNAMIC ACIDA,B1AY80.81
HCIHYDROCINNAMIC ACIDA1TOJ0.81
BZQDIPHENYLMETHANONEA,B1GT50.72
BZQDIPHENYLMETHANONEA,B1DZP0.72
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.8
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.8
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.75
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.75
C0E3-fluoro-6-(4-fluorophenyl)-2-hydroxy-
6-oxohexa-2,4-dienoic acid
A2RHW0.74
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.75
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.75
5PV5-PHENYLVALERIC ACIDA,B2AY90.82
HPX(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A,B,C,D2DSA0.72
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.87
IBPIBUPROFENA3FKX0.79
IBPIBUPROFENA,B2BXG0.79
IBPIBUPROFENA,B1EQG0.79
IBPIBUPROFENA,B,C2WD90.79
IBPIBUPROFENA2PWS0.79
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE
A6UPJ0.73
BZSL-BENZYLSUCCINIC ACIDA1CBX0.77
BZSL-BENZYLSUCCINIC ACIDA1HYT0.77
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.77
NALBETA-(2-NAPHTHYL)-ALANINEA,B2ITK0.72
NALBETA-(2-NAPHTHYL)-ALANINEH,I4THN0.72
NALBETA-(2-NAPHTHYL)-ALANINEA,B2Q5A0.72
NALBETA-(2-NAPHTHYL)-ALANINEA1ZWU0.72
NALBETA-(2-NAPHTHYL)-ALANINEA1SKL0.72
NALBETA-(2-NAPHTHYL)-ALANINEH,I5GDS0.72
NALBETA-(2-NAPHTHYL)-ALANINEA1ZH00.72
NALBETA-(2-NAPHTHYL)-ALANINEA,B2JT90.72
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.7
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.7
HPZ(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A2PUJ0.72