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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02277148

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,N2IAE0.7
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
HCIHYDROCINNAMIC ACIDA,B1BXG0.75
HCIHYDROCINNAMIC ACIDA,B1TOG0.75
HCIHYDROCINNAMIC ACIDA,B1V2F0.75
HCIHYDROCINNAMIC ACIDA,B1AHX0.75
HCIHYDROCINNAMIC ACIDA1TOI0.75
HCIHYDROCINNAMIC ACIDA,B1AY80.75
HCIHYDROCINNAMIC ACIDA1TOJ0.75
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.78
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.78
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.78
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.78
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.78
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.78
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.71
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.71
CLT4-PHENYL-BUTANOIC ACIDA1THL0.74
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.74
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.74
7912-PHENYLMALONIC ACIDA1O4P0.77
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.74
FBCA,B2B9A0.71
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.73
UIN5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-
3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-
2-ONE		B5UPJ0.74
TRZTRAZEOLIDEA1C120.71
CP5(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}-
2-PHENYLACRYLATE		A1SCW0.73
ENM(5S,8R,9S,10S,13R,14S,17S)-13-{2-
[(3,5-DIFLUOROBENZYL)OXY]ETHYL}-
17-HYDROXY-10-METHYLHEXADECAHYDRO-
3H-CYCLOPENTA[A]PHENANTHREN-3-ONE		A2PNU0.7
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
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.73
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID		A1FCX0.75
173BENZOYL-FORMIC ACIDA,B1SZE0.7
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.77
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.73
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.73
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.73
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.73
GW5(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-
1-ENYL]PHENYL}ACRYLIC ACID		A,B,C1R5K0.71
26CA,B2F7I0.71
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.8
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID		A1FCY0.74
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.72
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.79
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.79
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE		C,D,E1SQQ0.84
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,D1RDT0.71
RMN(R)-MANDELIC ACIDA1MDL0.71
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		1MCZ0.71
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID		A1XAP0.77
4FCA1YSG0.72
LLG2-aminoethyl naphthalen-1-ylacetateA3BC40.77
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.76
DFADIPHENYLACETIC ACIDA,B,C1GMY0.84
5PV5-PHENYLVALERIC ACIDA,B2AY90.76
BZSL-BENZYLSUCCINIC ACIDA1CBX0.73
BZSL-BENZYLSUCCINIC ACIDA1HYT0.73
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.73
IN4+/-METHYL 4-(AMINOIMINOMETHYL)-
BETA-[3- INH (AMINOIMINO)PHENYL]BENZENE PENTANOATE		A1AZ80.71
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.82
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.82
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.82
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.88
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.79
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.79
OX1H,Y1LO20.73
IBPIBUPROFENA3FKX0.82
IBPIBUPROFENA,B2BXG0.82
IBPIBUPROFENA,B1EQG0.82
IBPIBUPROFENA,B,C2WD90.82
IBPIBUPROFENA2PWS0.82
SMN(S)-MANDELIC ACIDA1MDL0.71
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID		A1FCZ0.76
MFD(2S,3S,8S,9S)-3-AMINO-9-METHOXY-
2,6,8-TRIMETHYL-10-PHENYLDECA-4,6-
DIENOIC ACID		A1AY30.7
CPMS-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-
S-METHANE		A1CPS0.71
PAC2-PHENYLACETIC ACIDB1PNL0.78
PAC2-PHENYLACETIC ACIDB1K5Q0.78
PAC2-PHENYLACETIC ACIDB1FXH0.78
PAC2-PHENYLACETIC ACIDA2ISF0.78
PAC2-PHENYLACETIC ACIDA2INE0.78
1LPTRANYLCYPROMINEA,B1OJB0.73
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA2NNV0.7
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA,B2NN70.7
FLPFLURBIPROFENA,B,C,D3PGH0.82
FLPFLURBIPROFENA,B1CQE0.82
FLPFLURBIPROFENA,B1EQH0.82
FLPFLURBIPROFENA,B2AYL0.82
FLPFLURBIPROFENA1DVT0.82
FLPFLURBIPROFENA1R9O0.82
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE		A6UPJ0.74
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.75
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.75
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID		A,B2GH50.72
BFLA,B1Q4G0.84
BM64-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-
2-YL]-BENZOIC ACID		A1MVC0.76
BM64-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-
2-YL]-BENZOIC ACID		A,C,E,G1MZN0.76
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.74
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A,B,M,N1FJM0.72
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVA0.72
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1LCM0.72
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A,B,C,D,E,F,
G,H		2NYM0.72
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		C,I2IE30.72
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		C,F,X,Y2NPP0.72
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVC0.72
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		C,F,G,H3DW80.72
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A,B,C,D,E,F,
G,H		2NYL0.72
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVD0.72
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVB0.72