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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02240799

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.74
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA,B2P0M0.72
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA1LOX0.72
0A9methyl L-phenylalaninateA1AY20.75
0A9methyl L-phenylalaninateI5ER10.75
0A9methyl L-phenylalaninateI,P1HDT0.75
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.71
SS11-PHENYLETHANOLH1UM50.72
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE
C,D,E1SQQ0.78
HY1PHENYLACETALDEHYDED,H2I0S0.75
HY1PHENYLACETALDEHYDEA,B1D6Y0.75
HY1PHENYLACETALDEHYDEA,B1D6Z0.75
HY1PHENYLACETALDEHYDED,H2OK40.75
HY1PHENYLACETALDEHYDEA,B1D6U0.75
OBZO-benzylhydroxylamineA,B3DTH0.71
OBZO-benzylhydroxylamineA,B3DTG0.71
3PL3-PHENYLPROPANALE1Y3G0.76
1LPTRANYLCYPROMINEA,B1OJB0.76
I4BISOBUTYLBENZENEA184L0.72
M283-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACIDA,B2NN10.7
M283-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACIDA2NNO0.7
CP5(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}-
2-PHENYLACRYLATE
A1SCW0.75
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS20.77
PHQFORMIC ACID BENZYL ESTERA,I2F4O0.77
PHQFORMIC ACID BENZYL ESTERA1KJO0.77
PHQFORMIC ACID BENZYL ESTERI2CDR0.77
PHQFORMIC ACID BENZYL ESTERI2C1E0.77
PHQFORMIC ACID BENZYL ESTERI5PAD0.77
PHQFORMIC ACID BENZYL ESTERE,F1JXQ0.77
PHQFORMIC ACID BENZYL ESTERA2CNO0.77
PHQFORMIC ACID BENZYL ESTERA,B1CGL0.77
PHQFORMIC ACID BENZYL ESTERI2AZ90.77
PHQFORMIC ACID BENZYL ESTERI2C2K0.77
PHQFORMIC ACID BENZYL ESTERA,I2CNL0.77
PHQFORMIC ACID BENZYL ESTERA1KJP0.77
PHQFORMIC ACID BENZYL ESTERI2C2M0.77
PHQFORMIC ACID BENZYL ESTERI2AZB0.77
PHQFORMIC ACID BENZYL ESTERA9HVP0.77
PHQFORMIC ACID BENZYL ESTERA1ESB0.77
PHQFORMIC ACID BENZYL ESTERE,F1DY80.77
PHQFORMIC ACID BENZYL ESTERE,I1PPM0.77
PHQFORMIC ACID BENZYL ESTERI1GEC0.77
PHQFORMIC ACID BENZYL ESTERA1KS70.77
PHQFORMIC ACID BENZYL ESTERC1A8G0.77
PHQFORMIC ACID BENZYL ESTERA1KKK0.77
PHQFORMIC ACID BENZYL ESTERT,U,V,W,X,Y1QDU0.77
PHQFORMIC ACID BENZYL ESTERE,I4TMN0.77
PHQFORMIC ACID BENZYL ESTERE,I5TMN0.77
PHQFORMIC ACID BENZYL ESTERA1KTO0.77
PHQFORMIC ACID BENZYL ESTERA,C1TG10.77
PHQFORMIC ACID BENZYL ESTERI2AZ80.77
PHQFORMIC ACID BENZYL ESTERA,B2G580.77
PHQFORMIC ACID BENZYL ESTERQ,R,S,T,U,V1F9E0.77
PHQFORMIC ACID BENZYL ESTERI2CJY0.77
PHQFORMIC ACID BENZYL ESTERA,I1E8M0.77
PHQFORMIC ACID BENZYL ESTERA1KR60.77
PHQFORMIC ACID BENZYL ESTERE,I6TMN0.77
PHQFORMIC ACID BENZYL ESTERA1KRO0.77
PHQFORMIC ACID BENZYL ESTERI2CNN0.77
PHQFORMIC ACID BENZYL ESTERI2C2O0.77
PHQFORMIC ACID BENZYL ESTERA,B1SQZ0.77
PHQFORMIC ACID BENZYL ESTERA,B1THE0.77
PHQFORMIC ACID BENZYL ESTERI,J2AZC0.77
PHQFORMIC ACID BENZYL ESTERE,I5EST0.77
PHQFORMIC ACID BENZYL ESTERI2CNK0.77
PHQFORMIC ACID BENZYL ESTERA1KL60.77
PHQFORMIC ACID BENZYL ESTERI6PAD0.77
PHQFORMIC ACID BENZYL ESTERB,I2C2Z0.77
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.79
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.79
UIN5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-
3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-
2-ONE
B5UPJ0.74
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
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
MFD(2S,3S,8S,9S)-3-AMINO-9-METHOXY-
2,6,8-TRIMETHYL-10-PHENYLDECA-4,6-
DIENOIC ACID
A1AY30.76
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS10.77
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.75
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
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.71
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.71
RSOR-STYRENE OXIDEA,B1PWZ0.72
OXEORTHO-XYLENEA,B3E0X0.7
OXEORTHO-XYLENEA188L0.7
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.85
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.85
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.85
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.85
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.85
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.85
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
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.78
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.71
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.71
SMN(S)-MANDELIC ACIDA1MDL0.73
FPRPROPYLBENZENEC1RHK0.72
BZSL-BENZYLSUCCINIC ACIDA1CBX0.79
BZSL-BENZYLSUCCINIC ACIDA1HYT0.79
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.79
FLPFLURBIPROFENA,B,C,D3PGH0.75
FLPFLURBIPROFENA,B1CQE0.75
FLPFLURBIPROFENA,B1EQH0.75
FLPFLURBIPROFENA,B2AYL0.75
FLPFLURBIPROFENA1DVT0.75
FLPFLURBIPROFENA1R9O0.75
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.74
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.7
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.73
HPEHOMOPHENYLALANINEA,B1B1H0.7
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.71
173BENZOYL-FORMIC ACIDA,B1SZE0.72
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.7
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.72
1ZN(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-
2,6,8-trimethyl-10-phenyldeca-4,6-
dienoic acid
C,F,M,N2IAE0.76
24I(2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACIDA2C6C0.71
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA1NX30.76
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA,B1ALW0.76
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.71
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.71
CLT4-PHENYL-BUTANOIC ACIDA1THL0.83
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.83
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.83
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.79
BFLA,B1Q4G0.78
SS2(1R)-1-PHENYLETHANOLA1ZK00.72
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.72
SS2(1R)-1-PHENYLETHANOLA1ZJY0.72
7912-PHENYLMALONIC ACIDA1O4P0.76
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
IBPIBUPROFENA3FKX0.82
IBPIBUPROFENA,B2BXG0.82
IBPIBUPROFENA,B1EQG0.82
IBPIBUPROFENA,B,C2WD90.82
IBPIBUPROFENA2PWS0.82
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.79
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.79
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.79
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.79
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.73
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.73
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H
2O780.73
CPMS-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-
S-METHANE
A1CPS0.76
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.81
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.81
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.81
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.8
PEL2-PHENYL-ETHANOLA,B1I0D0.77
PEL2-PHENYL-ETHANOLD,H2I0T0.77
PEL2-PHENYL-ETHANOLA,B1HZY0.77
PEL2-PHENYL-ETHANOLA,B1I0B0.77
PEL2-PHENYL-ETHANOLA1EYW0.77
PEL2-PHENYL-ETHANOLA,B1JGM0.77
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA2NNV0.78
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA,B2NN70.78
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
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.79
N4BN-BUTYLBENZENEA186L0.72
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE
A6UPJ0.74
12M(2-ETHYLPHENYL)METHANOLA,B2F620.72
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1DPM0.71
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6B0.71
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1PSC0.71
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B3E3H0.71
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1QW70.71
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6C0.71
PYLPHENYLETHANEC1B070.72
PYLPHENYLETHANEA,B2VRM0.72
PYLPHENYLETHANEA1NHB0.72
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.83
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.74
DFADIPHENYLACETIC ACIDA,B,C1GMY0.78
ARL7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA-
2,4,6-TRIENOIC ACID
A1NQ70.72
5PV5-PHENYLVALERIC ACIDA,B2AY90.83
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.81
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