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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03545118

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
SS11-PHENYLETHANOLH1UM50.72
173BENZOYL-FORMIC ACIDA,B1SZE0.73
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		1VQ60.85
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA,B1C1X0.85
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		1VQP0.85
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		1VQN0.85
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1QRP0.85
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA2CTC0.85
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E820.85
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E810.85
RMN(R)-MANDELIC ACIDA1MDL0.8
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		1MCZ0.8
HCIHYDROCINNAMIC ACIDA,B1BXG0.74
HCIHYDROCINNAMIC ACIDA,B1TOG0.74
HCIHYDROCINNAMIC ACIDA,B1V2F0.74
HCIHYDROCINNAMIC ACIDA,B1AHX0.74
HCIHYDROCINNAMIC ACIDA1TOI0.74
HCIHYDROCINNAMIC ACIDA,B1AY80.74
HCIHYDROCINNAMIC ACIDA1TOJ0.74
CLT4-PHENYL-BUTANOIC ACIDA1THL0.73
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.73
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.73
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.75
5PV5-PHENYLVALERIC ACIDA,B2AY90.73
BCSBENZYLCYSTEINEA,B,G,H10GS0.71
BCSBENZYLCYSTEINEA1EH80.71
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.76
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.75
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.75
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.75
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.75
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE		A,B1O7P0.72
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.77
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.7
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.72
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.72
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.72
DFADIPHENYLACETIC ACIDA,B,C1GMY0.71
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.83
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.83
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA1NX30.76
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA,B1ALW0.76
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.71
RP4(1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-
(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-
1-CARBOXYLIC ACID		A,B,C,D,E,F,
G,H,I,J,K,L		2CJF0.75
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid		A,B2RJR0.77
PAC2-PHENYLACETIC ACIDB1PNL0.75
PAC2-PHENYLACETIC ACIDB1K5Q0.75
PAC2-PHENYLACETIC ACIDB1FXH0.75
PAC2-PHENYLACETIC ACIDA2ISF0.75
PAC2-PHENYLACETIC ACIDA2INE0.75
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.71
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.71
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.76
SS2(1R)-1-PHENYLETHANOLA1ZK00.72
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.72
SS2(1R)-1-PHENYLETHANOLA1ZJY0.72
7912-PHENYLMALONIC ACIDA1O4P0.71
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.72
CPMS-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-
S-METHANE		A1CPS0.76
PEL2-PHENYL-ETHANOLA,B1I0D0.75
PEL2-PHENYL-ETHANOLD,H2I0T0.75
PEL2-PHENYL-ETHANOLA,B1HZY0.75
PEL2-PHENYL-ETHANOLA,B1I0B0.75
PEL2-PHENYL-ETHANOLA1EYW0.75
PEL2-PHENYL-ETHANOLA,B1JGM0.75
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.8
BZSL-BENZYLSUCCINIC ACIDA1CBX0.7
BZSL-BENZYLSUCCINIC ACIDA1HYT0.7
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.7
IBPIBUPROFENA3FKX0.71
IBPIBUPROFENA,B2BXG0.71
IBPIBUPROFENA,B1EQG0.71
IBPIBUPROFENA,B,C2WD90.71
IBPIBUPROFENA2PWS0.71
CGTCARBA-GLUCOTROPAEOLINM1W9B0.72
SMN(S)-MANDELIC ACIDA1MDL0.8
HHH(2S)-hydroxy(4-hydroxyphenyl)ethanoic acidA,B2R5V0.73