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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00297354

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.86
S1ASORAPHEN AA,B3GID0.73
S1ASORAPHEN AA,B,C1W960.73
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER		X1YS10.7
CPMS-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-
S-METHANE		A1CPS0.77
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER		X1YS20.7
DFADIPHENYLACETIC ACIDA,B,C1GMY0.82
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.72
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.72
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.71
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.71
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID		A1XAP0.73
173BENZOYL-FORMIC ACIDA,B1SZE0.73
APD3-METHYLPHENYLALANINEA,B,C1GMY0.71
PAC2-PHENYLACETIC ACIDB1PNL0.8
PAC2-PHENYLACETIC ACIDB1K5Q0.8
PAC2-PHENYLACETIC ACIDB1FXH0.8
PAC2-PHENYLACETIC ACIDA2ISF0.8
PAC2-PHENYLACETIC ACIDA2INE0.8
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.86
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.86
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.86
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.86
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.86
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.86
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.81
IN4+/-METHYL 4-(AMINOIMINOMETHYL)-
BETA-[3- INH (AMINOIMINO)PHENYL]BENZENE PENTANOATE		A1AZ80.7
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.7
4HP4-HYDROXYPHENYLACETATEA2YYJ0.7
4HP4-HYDROXYPHENYLACETATEA2YYM0.7
4HP4-HYDROXYPHENYLACETATEB1AI60.7
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.7
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.84
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.84
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.84
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE		C,D,E1SQQ0.77
IGLALPHA-AMINO-2-INDANACETIC ACIDA1BDK0.71
LLG2-aminoethyl naphthalen-1-ylacetateA3BC40.71
BZSL-BENZYLSUCCINIC ACIDA1CBX0.82
BZSL-BENZYLSUCCINIC ACIDA1HYT0.82
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.82
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A,B,M,N1FJM0.76
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVA0.76
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1LCM0.76
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A,B,C,D,E,F,
G,H		2NYM0.76
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		C,I2IE30.76
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		C,F,X,Y2NPP0.76
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVC0.76
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		C,F,G,H3DW80.76
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A,B,C,D,E,F,
G,H		2NYL0.76
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVD0.76
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVB0.76
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA1NX30.75
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA,B1ALW0.75
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.8
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.8
BEY(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-
2-benzylpropanoic acid		A3EBI0.71
1ZN(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-
2,6,8-trimethyl-10-phenyldeca-4,6-
dienoic acid		C,F,M,N2IAE0.75
SMN(S)-MANDELIC ACIDA1MDL0.74
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE		A6UPJ0.82
4PH4-methyl-L-phenylalanineB,C3BV90.73
IBPIBUPROFENA3FKX0.86
IBPIBUPROFENA,B2BXG0.86
IBPIBUPROFENA,B1EQG0.86
IBPIBUPROFENA,B,C2WD90.86
IBPIBUPROFENA2PWS0.86
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID		A3CBS0.72
OIN(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-
3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE		A1TH60.73
OIN(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-
3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE		A2ARM0.73
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID		A1FCZ0.73
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.77
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.77
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.77
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.77
OX1H,Y1LO20.76
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.7
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID		A,B2GH50.79
7912-PHENYLMALONIC ACIDA1O4P0.79
RMN(R)-MANDELIC ACIDA1MDL0.74
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		1MCZ0.74
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID		A1FCX0.71
TRZTRAZEOLIDEA1C120.77
CLT4-PHENYL-BUTANOIC ACIDA1THL0.83
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.83
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.83
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.82
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.82
FBCA,B2B9A0.72
L79(S)-(2E)-3[4-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)TETRAHYDRO-
1-BENZOFURAN-2-YL]-2-PROPENOIC ACID		A,D1RDT0.73
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.79
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.79
4MA4-METHYLBENZOIC ACIDA,H2HRG0.74
UIN5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-
3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-
2-ONE		B5UPJ0.82
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
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid		A,B2RJR0.7
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.71
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.71
OSB2-SUCCINYLBENZOATEA1FHV0.72
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.72
OSB2-SUCCINYLBENZOATEA,B2QVH0.72
23N(2R)-2-benzyl-3-nitropropanoic acidA2RFH0.71
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.72
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.72
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.72
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.8
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.8
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.8
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.8
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.8
1LPTRANYLCYPROMINEA,B1OJB0.73
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.82
FLPFLURBIPROFENA,B,C,D3PGH0.82
FLPFLURBIPROFENA,B1CQE0.82
FLPFLURBIPROFENA,B1EQH0.82
FLPFLURBIPROFENA,B2AYL0.82
FLPFLURBIPROFENA1DVT0.82
FLPFLURBIPROFENA1R9O0.82
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.7
4FCA1YSG0.73
ODEDIETHYL (1R,2S,3R,4S)-5,6-BIS(4-
HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-
5-ENE-2,3-DICARBOXYLATE		A,B2QH60.7
HSI(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACIDA2Z2D0.73
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.71
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		1VQ60.79
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA,B1C1X0.79
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		1VQP0.79
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		1VQN0.79
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1QRP0.79
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA2CTC0.79
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E820.79
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E810.79
BFLA,B1Q4G0.84
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.71
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA2NNV0.72
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA,B2NN70.72
26CA,B2F7I0.72
5PV5-PHENYLVALERIC ACIDA,B2AY90.83
HPEHOMOPHENYLALANINEA,B1B1H0.71
MFD(2S,3S,8S,9S)-3-AMINO-9-METHOXY-
2,6,8-TRIMETHYL-10-PHENYLDECA-4,6-
DIENOIC ACID		A1AY30.75
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.79
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.77
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.77