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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02808841

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
23N(2R)-2-benzyl-3-nitropropanoic acidA2RFH0.72
AC01-PHENYLETHANONEA1ZK10.7
AC01-PHENYLETHANONEA1ZK40.7
R133-METHYL-7-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL) -OCTA-2,4,6-TRIENOIC ACID		A2CBS0.72
0A9methyl L-phenylalaninateA1AY20.75
0A9methyl L-phenylalaninateI5ER10.75
0A9methyl L-phenylalaninateI,P1HDT0.75
BFLA,B1Q4G0.88
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.85
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.85
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.85
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.71
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID		A1FCZ0.72
HY1PHENYLACETALDEHYDED,H2I0S0.73
HY1PHENYLACETALDEHYDEA,B1D6Y0.73
HY1PHENYLACETALDEHYDEA,B1D6Z0.73
HY1PHENYLACETALDEHYDED,H2OK40.73
HY1PHENYLACETALDEHYDEA,B1D6U0.73
IBPIBUPROFENA3FKX0.85
IBPIBUPROFENA,B2BXG0.85
IBPIBUPROFENA,B1EQG0.85
IBPIBUPROFENA,B,C2WD90.85
IBPIBUPROFENA2PWS0.85
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
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.8
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.8
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.91
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
IN4+/-METHYL 4-(AMINOIMINOMETHYL)-
BETA-[3- INH (AMINOIMINO)PHENYL]BENZENE PENTANOATE		A1AZ80.77
M283-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACIDA,B2NN10.7
M283-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACIDA2NNO0.7
HCIHYDROCINNAMIC ACIDA,B1BXG0.84
HCIHYDROCINNAMIC ACIDA,B1TOG0.84
HCIHYDROCINNAMIC ACIDA,B1V2F0.84
HCIHYDROCINNAMIC ACIDA,B1AHX0.84
HCIHYDROCINNAMIC ACIDA1TOI0.84
HCIHYDROCINNAMIC ACIDA,B1AY80.84
HCIHYDROCINNAMIC ACIDA1TOJ0.84
CP5(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}-
2-PHENYLACRYLATE		A1SCW0.73
4PH4-methyl-L-phenylalanineB,C3BV90.72
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
1ZN(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-
2,6,8-trimethyl-10-phenyldeca-4,6-
dienoic acid		C,F,M,N2IAE0.72
CPMS-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-
S-METHANE		A1CPS0.78
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA,B2P0M0.7
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA1LOX0.7
5PV5-PHENYLVALERIC ACIDA,B2AY90.85
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE		C,D,E1SQQ0.85
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.71
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER		X1YS10.73
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J2FIV0.7
ALNNAPHTHALEN-2-YL-3-ALANINEA,B1B0H0.7
ALNNAPHTHALEN-2-YL-3-ALANINEB1FIV0.7
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J3FIV0.7
BZSL-BENZYLSUCCINIC ACIDA1CBX0.81
BZSL-BENZYLSUCCINIC ACIDA1HYT0.81
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.81
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.85
4MA4-METHYLBENZOIC ACIDA,H2HRG0.71
PAC2-PHENYLACETIC ACIDB1PNL0.81
PAC2-PHENYLACETIC ACIDB1K5Q0.81
PAC2-PHENYLACETIC ACIDB1FXH0.81
PAC2-PHENYLACETIC ACIDA2ISF0.81
PAC2-PHENYLACETIC ACIDA2INE0.81
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER		X1YS20.73
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.71
DFADIPHENYLACETIC ACIDA,B,C1GMY0.88
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.7
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE		A6UPJ0.8
FLPFLURBIPROFENA,B,C,D3PGH0.85
FLPFLURBIPROFENA,B1CQE0.85
FLPFLURBIPROFENA,B1EQH0.85
FLPFLURBIPROFENA,B2AYL0.85
FLPFLURBIPROFENA1DVT0.85
FLPFLURBIPROFENA1R9O0.85
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
HPEHOMOPHENYLALANINEA,B1B1H0.7
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.71
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.75
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.75
173BENZOYL-FORMIC ACIDA,B1SZE0.72
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.82
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.83
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.78
TRZTRAZEOLIDEA1C120.72
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
HSI(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACIDA2Z2D0.72
MFD(2S,3S,8S,9S)-3-AMINO-9-METHOXY-
2,6,8-TRIMETHYL-10-PHENYLDECA-4,6-
DIENOIC ACID		A1AY30.72
CLT4-PHENYL-BUTANOIC ACIDA1THL0.83
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.83
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.83
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
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.81
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.81
UIN5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-
3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-
2-ONE		B5UPJ0.8
1LPTRANYLCYPROMINEA,B1OJB0.78
MQ9MENAQUINONE-9C,H,L,M3D380.71
MQ9MENAQUINONE-9C,H,L,M1VRN0.71
MQ9MENAQUINONE-9C,H,L,M2I5N0.71
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.71
26CA,B2F7I0.73
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE		A,B1FDG0.71
APD3-METHYLPHENYLALANINEA,B,C1GMY0.72
OX1H,Y1LO20.73
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.77
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.77
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.79
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.79
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.79
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.79
SMN(S)-MANDELIC ACIDA1MDL0.71
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA2NNV0.74
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA,B2NN70.74
BZQDIPHENYLMETHANONEA,B1GT50.73
BZQDIPHENYLMETHANONEA,B1DZP0.73
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A,B,M,N1FJM0.74
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVA0.74
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1LCM0.74
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A,B,C,D,E,F,
G,H		2NYM0.74
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		C,I2IE30.74
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		C,F,X,Y2NPP0.74
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVC0.74
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		C,F,G,H3DW80.74
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A,B,C,D,E,F,
G,H		2NYL0.74
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVD0.74
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVB0.74
MQ7MENAQUINONE-7C,H,L,M1PRC0.71
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.71
MQ7MENAQUINONE-7C,H,L,M5PRC0.71
MQ7MENAQUINONE-7C,H,L,M7PRC0.71
MQ7MENAQUINONE-7C,H,L,M2PRC0.71
MQ7MENAQUINONE-7C,H,L,M1R2C0.71
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.71
MQ7MENAQUINONE-7C,H,L,M3PRC0.71
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.71
MQ7MENAQUINONE-7C,H,L,M2JBL0.71
MQ7MENAQUINONE-7C,H,L,M6PRC0.71
BEY(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-
2-benzylpropanoic acid		A3EBI0.74
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		1VQ60.76
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA,B1C1X0.76
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		1VQP0.76
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		1VQN0.76
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1QRP0.76
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA2CTC0.76
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E820.76
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E810.76
LLG2-aminoethyl naphthalen-1-ylacetateA3BC40.74
4FCA1YSG0.74
BR46-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-
HEXANOIC ACID		A1KQU0.7
FBCA,B2B9A0.73
NALBETA-(2-NAPHTHYL)-ALANINEA,B2ITK0.7
NALBETA-(2-NAPHTHYL)-ALANINEH,I4THN0.7
NALBETA-(2-NAPHTHYL)-ALANINEA,B2Q5A0.7
NALBETA-(2-NAPHTHYL)-ALANINEA1ZWU0.7
NALBETA-(2-NAPHTHYL)-ALANINEA1SKL0.7
NALBETA-(2-NAPHTHYL)-ALANINEH,I5GDS0.7
NALBETA-(2-NAPHTHYL)-ALANINEA1ZH00.7
NALBETA-(2-NAPHTHYL)-ALANINEA,B2JT90.7
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID		A,B2GH50.78
BDBA,B1KE30.71
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.81
3PL3-PHENYLPROPANALE1Y3G0.74
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X		1JB00.73
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L		2O010.73
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.73
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.73
PQNPHYLLOQUINONE0,1,2,3,4,5,
6,7,8,9,A,B,
C,F,G,H,J,K,
L,P,Q,R,U,V,
W,Z		1QZV0.73
MQ8MENAQUINONE 8C,H,L,M1EYS0.71
7912-PHENYLMALONIC ACIDA1O4P0.8
ARL7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA-
2,4,6-TRIENOIC ACID		A1NQ70.72
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.76
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.7
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.7