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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00740964

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.76
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.76
1LPTRANYLCYPROMINEA,B1OJB0.71
IBPIBUPROFENA3FKX0.74
IBPIBUPROFENA,B2BXG0.74
IBPIBUPROFENA,B1EQG0.74
IBPIBUPROFENA,B,C2WD90.74
IBPIBUPROFENA2PWS0.74
SMN(S)-MANDELIC ACIDA1MDL0.7
0A9methyl L-phenylalaninateA1AY20.74
0A9methyl L-phenylalaninateI5ER10.74
0A9methyl L-phenylalaninateI,P1HDT0.74
CPMS-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-
S-METHANE
A1CPS0.86
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA2NNV0.82
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA,B2NN70.82
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
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE
C,D,E1SQQ0.73
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.74
CP5(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}-
2-PHENYLACRYLATE
A1SCW0.72
M283-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACIDA,B2NN10.74
M283-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACIDA2NNO0.74
HY1PHENYLACETALDEHYDED,H2I0S0.72
HY1PHENYLACETALDEHYDEA,B1D6Y0.72
HY1PHENYLACETALDEHYDEA,B1D6Z0.72
HY1PHENYLACETALDEHYDED,H2OK40.72
HY1PHENYLACETALDEHYDEA,B1D6U0.72
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.76
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.76
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.76
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.76
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
FLPFLURBIPROFENA,B,C,D3PGH0.71
FLPFLURBIPROFENA,B1CQE0.71
FLPFLURBIPROFENA,B1EQH0.71
FLPFLURBIPROFENA,B2AYL0.71
FLPFLURBIPROFENA1DVT0.71
FLPFLURBIPROFENA1R9O0.71
7912-PHENYLMALONIC ACIDA1O4P0.71
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.79
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.79
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.79
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.79
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.79
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.79
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.79
BZSL-BENZYLSUCCINIC ACIDA1CBX0.74
BZSL-BENZYLSUCCINIC ACIDA1HYT0.74
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.74
5PV5-PHENYLVALERIC ACIDA,B2AY90.79
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.83
3PL3-PHENYLPROPANALE1Y3G0.73
BFLA,B1Q4G0.73
DFADIPHENYLACETIC ACIDA,B,C1GMY0.72
CLT4-PHENYL-BUTANOIC ACIDA1THL0.79
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.79
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.79
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.76
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.76
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.76
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.76
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.77
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.82
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.71
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.76
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA1NX30.82
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA,B1ALW0.82
RMN(R)-MANDELIC ACIDA1MDL0.7
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MCZ0.7
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.71
PAC2-PHENYLACETIC ACIDB1PNL0.77
PAC2-PHENYLACETIC ACIDB1K5Q0.77
PAC2-PHENYLACETIC ACIDB1FXH0.77
PAC2-PHENYLACETIC ACIDA2ISF0.77
PAC2-PHENYLACETIC ACIDA2INE0.77