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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03422164

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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
B08A,B2E990.72
PAC2-PHENYLACETIC ACIDB1PNL0.8
PAC2-PHENYLACETIC ACIDB1K5Q0.8
PAC2-PHENYLACETIC ACIDB1FXH0.8
PAC2-PHENYLACETIC ACIDA2ISF0.8
PAC2-PHENYLACETIC ACIDA2INE0.8
UIN5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-
3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-
2-ONE
B5UPJ0.73
FLPFLURBIPROFENA,B,C,D3PGH0.77
FLPFLURBIPROFENA,B1CQE0.77
FLPFLURBIPROFENA,B1EQH0.77
FLPFLURBIPROFENA,B2AYL0.77
FLPFLURBIPROFENA1DVT0.77
FLPFLURBIPROFENA1R9O0.77
M283-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACIDA,B2NN10.72
M283-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACIDA2NNO0.72
BZSL-BENZYLSUCCINIC ACIDA1CBX0.83
BZSL-BENZYLSUCCINIC ACIDA1HYT0.83
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.83
MFD(2S,3S,8S,9S)-3-AMINO-9-METHOXY-
2,6,8-TRIMETHYL-10-PHENYLDECA-4,6-
DIENOIC ACID
A1AY30.71
BFLA,B1Q4G0.79
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
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.71
CPMS-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-
S-METHANE
A1CPS0.78
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
1VQ60.78
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA,B1C1X0.78
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
1VQP0.78
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
1VQN0.78
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1QRP0.78
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA2CTC0.78
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E820.78
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E810.78
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.74
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA2NNV0.71
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA,B2NN70.71
DFADIPHENYLACETIC ACIDA,B,C1GMY0.79
4MA4-METHYLBENZOIC ACIDA,H2HRG0.71
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.73
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.73
BEY(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-
2-benzylpropanoic acid
A3EBI0.81
SMN(S)-MANDELIC ACIDA1MDL0.73
5PV5-PHENYLVALERIC ACIDA,B2AY90.84
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.7
23N(2R)-2-benzyl-3-nitropropanoic acidA2RFH0.73
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.71
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.7
PEL2-PHENYL-ETHANOLA,B1I0D0.71
PEL2-PHENYL-ETHANOLD,H2I0T0.71
PEL2-PHENYL-ETHANOLA,B1HZY0.71
PEL2-PHENYL-ETHANOLA,B1I0B0.71
PEL2-PHENYL-ETHANOLA1EYW0.71
PEL2-PHENYL-ETHANOLA,B1JGM0.71
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.84
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS20.84
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.71
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.71
HPEHOMOPHENYLALANINEA,B1B1H0.7
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS10.84
173BENZOYL-FORMIC ACIDA,B1SZE0.72
7912-PHENYLMALONIC ACIDA1O4P0.79
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.83
1ZN(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-
2,6,8-trimethyl-10-phenyldeca-4,6-
dienoic acid
C,F,M,N2IAE0.71
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
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
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE
C,D,E1SQQ0.71
3PL3-PHENYLPROPANALE1Y3G0.7
CLT4-PHENYL-BUTANOIC ACIDA1THL0.82
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.82
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.82
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.73
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.73
CP5(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}-
2-PHENYLACRYLATE
A1SCW0.82
1LPTRANYLCYPROMINEA,B1OJB0.72
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.74
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
A,L,M3FEA0.78
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
P1CWD0.78
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
L3FE70.78
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
B2GV20.78
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
B,D1CWE0.78
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
RMN(R)-MANDELIC ACIDA1MDL0.73
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MCZ0.73
APD3-METHYLPHENYLALANINEA,B,C1GMY0.72
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
IBPIBUPROFENA3FKX0.83
IBPIBUPROFENA,B2BXG0.83
IBPIBUPROFENA,B1EQG0.83
IBPIBUPROFENA,B,C2WD90.83
IBPIBUPROFENA2PWS0.83
PTMALPHA-METHYL-O-PHOSPHOTYROSINEH,L1JYQ0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.83
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.83
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.83
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.73
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D1A080.75
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D,E,F1QZ00.75
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D,E,F1XXV0.75
B28A,B2E9A0.71
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1DPM0.76
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6B0.76
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1PSC0.76
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B3E3H0.76
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1QW70.76
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6C0.76
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.81
24I(2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACIDA2C6C0.82
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE
A6UPJ0.73
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.7
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.7
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.7
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