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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02253988

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
R133-METHYL-7-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL) -OCTA-2,4,6-TRIENOIC ACID		A2CBS0.72
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.85
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.85
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.85
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.71
OSB2-SUCCINYLBENZOATEA1FHV0.76
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.76
OSB2-SUCCINYLBENZOATEA,B2QVH0.76
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID		A1FCX0.7
B28A,B2E9A0.73
B08A,B2E990.72
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.76
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.76
TRZTRAZEOLIDEA1C120.79
CLT4-PHENYL-BUTANOIC ACIDA1THL0.84
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.84
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.84
PAC2-PHENYLACETIC ACIDB1PNL0.8
PAC2-PHENYLACETIC ACIDB1K5Q0.8
PAC2-PHENYLACETIC ACIDB1FXH0.8
PAC2-PHENYLACETIC ACIDA2ISF0.8
PAC2-PHENYLACETIC ACIDA2INE0.8
FBCA,B2B9A0.76
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
M283-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACIDA,B2NN10.72
M283-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACIDA2NNO0.72
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID		A1FCY0.72
FLPFLURBIPROFENA,B,C,D3PGH0.86
FLPFLURBIPROFENA,B1CQE0.86
FLPFLURBIPROFENA,B1EQH0.86
FLPFLURBIPROFENA,B2AYL0.86
FLPFLURBIPROFENA1DVT0.86
FLPFLURBIPROFENA1R9O0.86
OX1H,Y1LO20.8
DPND-PHENYLALANINEP1MCS0.7
DPND-PHENYLALANINEA1GOE0.7
DPND-PHENYLALANINEA2RM90.7
DPND-PHENYLALANINEA1SOC0.7
DPND-PHENYLALANINEB,C,E,F1SFQ0.7
DPND-PHENYLALANINEI1ABJ0.7
DPND-PHENYLALANINEP1DWE0.7
DPND-PHENYLALANINEI,M1HLT0.7
DPND-PHENYLALANINEA,H,L1J9C0.7
DPND-PHENYLALANINEI,T1TMB0.7
DPND-PHENYLALANINEA2JRY0.7
DPND-PHENYLALANINEA2SOC0.7
DPND-PHENYLALANINEA2YYF0.7
DPND-PHENYLALANINEI2HGT0.7
DPND-PHENYLALANINEA,D2Q3I0.7
DPND-PHENYLALANINEA,P1MCD0.7
DPND-PHENYLALANINEP1HAO0.7
DPND-PHENYLALANINEA,B,I1Z8J0.7
DPND-PHENYLALANINEA,B,C2PGQ0.7
DPND-PHENYLALANINEC,D,H,I,L,M,
X,Y		1DVA0.7
DPND-PHENYLALANINEP1NRR0.7
DPND-PHENYLALANINEI1PPB0.7
DPND-PHENYLALANINEC,D,G,H1NU70.7
DPND-PHENYLALANINEI2HPP0.7
DPND-PHENYLALANINEB,C2OD30.7
DPND-PHENYLALANINEA1B0Q0.7
DPND-PHENYLALANINEB,C,E,F1NU90.7
DPND-PHENYLALANINEA,B,I1Z8I0.7
DPND-PHENYLALANINEH,I,J1TMU0.7
DPND-PHENYLALANINEA,B,C,D,E,F2DNS0.7
DPND-PHENYLALANINEA1GO90.7
DPND-PHENYLALANINEB,C,E,F1A0H0.7
DPND-PHENYLALANINEP1MCF0.7
DPND-PHENYLALANINEA2RME0.7
DPND-PHENYLALANINEH,I1TMT0.7
DPND-PHENYLALANINEI1ABI0.7
DPND-PHENYLALANINER1NRQ0.7
DPND-PHENYLALANINEB,C,F,G2A1D0.7
DPND-PHENYLALANINEA,B2Q330.7
DPND-PHENYLALANINEC,H,L1DAN0.7
DPND-PHENYLALANINEP1MCE0.7
DPND-PHENYLALANINEB,C,E,F2A450.7
DPND-PHENYLALANINEA2RMI0.7
DPND-PHENYLALANINEA,B,I1TQ70.7
DPND-PHENYLALANINEA1W7M0.7
DPND-PHENYLALANINEP1HAP0.7
DPND-PHENYLALANINEA,B1ORF0.7
DPND-PHENYLALANINEI1IHS0.7
DPND-PHENYLALANINEP1MCC0.7
DPND-PHENYLALANINEA2RMD0.7
DPND-PHENYLALANINEA2JQB0.7
DPND-PHENYLALANINEI2HPQ0.7
DPND-PHENYLALANINEC,E,F1SHH0.7
DPND-PHENYLALANINEA,I1CVR0.7
DPND-PHENYLALANINEL,P1AUT0.7
DPND-PHENYLALANINEP1MCI0.7
DPND-PHENYLALANINEH,I3F6U0.7
DPND-PHENYLALANINEA1BFW0.7
DPND-PHENYLALANINEH,I1HAI0.7
DPND-PHENYLALANINEB,C2THF0.7
DPND-PHENYLALANINEI1IHT0.7
DPND-PHENYLALANINEA,P1MCJ0.7
DPND-PHENYLALANINEA1TKH0.7
DPND-PHENYLALANINEC,H,L,T2FIR0.7
DPND-PHENYLALANINEA2FMZ0.7
DPND-PHENYLALANINEA1YL90.7
DPND-PHENYLALANINEI1HUT0.7
DPND-PHENYLALANINEI1FXY0.7
DPND-PHENYLALANINEA1YL80.7
DPND-PHENYLALANINEC,H,L1QFK0.7
DPND-PHENYLALANINEP1MCB0.7
PHTPHTHALIC ACIDA,B,C2B7P0.76
PHTPHTHALIC ACIDA3C2V0.76
PHTPHTHALIC ACIDA,B,C,D,E,F1QPR0.76
PHTPHTHALIC ACIDA,B3C2R0.76
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
CPMS-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-
S-METHANE		A1CPS0.78
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.82
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.82
BEY(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-
2-benzylpropanoic acid		A3EBI0.76
HPEHOMOPHENYLALANINEA,B1B1H0.72
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A,B,M,N1FJM0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVA0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1LCM0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A,B,C,D,E,F,
G,H		2NYM0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		C,I2IE30.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		C,F,X,Y2NPP0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVC0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		C,F,G,H3DW80.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A,B,C,D,E,F,
G,H		2NYL0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVD0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVB0.71
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID		A,B2GH50.81
UIN5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-
3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-
2-ONE		B5UPJ0.78
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.72
26CA,B2F7I0.76
PMAPYROMELLITIC ACIDA,B1FUP0.73
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.71
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.71
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.71
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.71
4PH4-methyl-L-phenylalanineB,C3BV90.73
5PV5-PHENYLVALERIC ACIDA,B2AY90.84
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.7
23N(2R)-2-benzyl-3-nitropropanoic acidA2RFH0.73
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
DFADIPHENYLACETIC ACIDA,B,C1GMY0.87
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.71
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID		A1FCZ0.75
173BENZOYL-FORMIC ACIDA,B1SZE0.72
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.83
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.73
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.8
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA1NX30.76
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA,B1ALW0.76
4FCA1YSG0.77
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.86
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.87
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.87
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.87
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.87
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.87
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.87
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.81
GW5(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-
1-ENYL]PHENYL}ACRYLIC ACID		A,B,C1R5K0.73
IGLALPHA-AMINO-2-INDANACETIC ACIDA1BDK0.72
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE		C,D,E1SQQ0.76
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.87
1LPTRANYLCYPROMINEA,B1OJB0.7
4MA4-METHYLBENZOIC ACIDA,H2HRG0.75
IN4+/-METHYL 4-(AMINOIMINOMETHYL)-
BETA-[3- INH (AMINOIMINO)PHENYL]BENZENE PENTANOATE		A1AZ80.71
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE		A6UPJ0.78
HCIHYDROCINNAMIC ACIDA,B1BXG0.83
HCIHYDROCINNAMIC ACIDA,B1TOG0.83
HCIHYDROCINNAMIC ACIDA,B1V2F0.83
HCIHYDROCINNAMIC ACIDA,B1AHX0.83
HCIHYDROCINNAMIC ACIDA1TOI0.83
HCIHYDROCINNAMIC ACIDA,B1AY80.83
HCIHYDROCINNAMIC ACIDA1TOJ0.83
APD3-METHYLPHENYLALANINEA,B,C1GMY0.72
NHL(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACIDA2OHV0.73
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.79
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.79
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.79
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.79
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.75
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.75
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.76
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.76
HSI(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACIDA2Z2D0.78
7912-PHENYLMALONIC ACIDA1O4P0.81
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.72
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID		A1XAP0.76
BFLA,B1Q4G0.89
BR46-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-
HEXANOIC ACID		A1KQU0.7
IBPIBUPROFENA3FKX0.87
IBPIBUPROFENA,B2BXG0.87
IBPIBUPROFENA,B1EQG0.87
IBPIBUPROFENA,B,C2WD90.87
IBPIBUPROFENA2PWS0.87
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.82
ARL7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA-
2,4,6-TRIENOIC ACID		A1NQ70.7
ODEDIETHYL (1R,2S,3R,4S)-5,6-BIS(4-
HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-
5-ENE-2,3-DICARBOXYLATE		A,B2QH60.72
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID		A3CBS0.71
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.81
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.83
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.83
BZSL-BENZYLSUCCINIC ACIDA1CBX0.91
BZSL-BENZYLSUCCINIC ACIDA1HYT0.91
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.91
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.74
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.74
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
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.71
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.7
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.7