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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03542713

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.86
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.86
OSB2-SUCCINYLBENZOATEA1FHV0.71
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.71
OSB2-SUCCINYLBENZOATEA,B2QVH0.71
B28A,B2E9A0.75
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.87
M283-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACIDA,B2NN10.7
M283-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACIDA2NNO0.7
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE
C,D,E1SQQ0.72
7912-PHENYLMALONIC ACIDA1O4P0.86
UIN5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-
3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-
2-ONE
B5UPJ0.74
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.78
BZSL-BENZYLSUCCINIC ACIDA1CBX0.82
BZSL-BENZYLSUCCINIC ACIDA1HYT0.82
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.82
173BENZOYL-FORMIC ACIDA,B1SZE0.7
CPMS-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-
S-METHANE
A1CPS0.74
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.74
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.74
4MA4-METHYLBENZOIC ACIDA,H2HRG0.71
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.78
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.81
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.81
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.71
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA1NX30.73
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA,B1ALW0.73
B08A,B2E990.75
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
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.7
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.73
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.78
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
OX1H,Y1LO20.76
HPEHOMOPHENYLALANINEA,B1B1H0.7
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.75
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.7
TRZTRAZEOLIDEA1C120.72
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.71
HSI(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACIDA2Z2D0.72
GW5(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-
1-ENYL]PHENYL}ACRYLIC ACID
A,B,C1R5K0.75
DFADIPHENYLACETIC ACIDA,B,C1GMY0.84
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.8
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.8
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.8
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.76
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.76
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.76
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.76
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.75
CLT4-PHENYL-BUTANOIC ACIDA1THL0.82
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.82
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.82
HCIHYDROCINNAMIC ACIDA,B1BXG0.8
HCIHYDROCINNAMIC ACIDA,B1TOG0.8
HCIHYDROCINNAMIC ACIDA,B1V2F0.8
HCIHYDROCINNAMIC ACIDA,B1AHX0.8
HCIHYDROCINNAMIC ACIDA1TOI0.8
HCIHYDROCINNAMIC ACIDA,B1AY80.8
HCIHYDROCINNAMIC ACIDA1TOJ0.8
IBPIBUPROFENA3FKX0.82
IBPIBUPROFENA,B2BXG0.82
IBPIBUPROFENA,B1EQG0.82
IBPIBUPROFENA,B,C2WD90.82
IBPIBUPROFENA2PWS0.82
NHL(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACIDA2OHV0.73
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.8
26CA,B2F7I0.74
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.79
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.7
23N(2R)-2-benzyl-3-nitropropanoic acidA2RFH0.71
BEY(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-
2-benzylpropanoic acid
A3EBI0.74
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID
A1XAP0.76
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.72
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.72
PAC2-PHENYLACETIC ACIDB1PNL0.78
PAC2-PHENYLACETIC ACIDB1K5Q0.78
PAC2-PHENYLACETIC ACIDB1FXH0.78
PAC2-PHENYLACETIC ACIDA2ISF0.78
PAC2-PHENYLACETIC ACIDA2INE0.78
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.71
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.71
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.71
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.71
FLPFLURBIPROFENA,B,C,D3PGH0.82
FLPFLURBIPROFENA,B1CQE0.82
FLPFLURBIPROFENA,B1EQH0.82
FLPFLURBIPROFENA,B2AYL0.82
FLPFLURBIPROFENA1DVT0.82
FLPFLURBIPROFENA1R9O0.82
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.75
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.75
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE
A6UPJ0.74
ODEDIETHYL (1R,2S,3R,4S)-5,6-BIS(4-
HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-
5-ENE-2,3-DICARBOXYLATE
A,B2QH60.7
5PV5-PHENYLVALERIC ACIDA,B2AY90.82
FBCA,B2B9A0.74
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.82
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.82
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.82
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.82
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.82
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.82
BFLA,B1Q4G0.84
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.82
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
4FCA1YSG0.75