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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00202970

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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
1VQ60.77
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA,B1C1X0.77
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
1VQP0.77
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
1VQN0.77
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1QRP0.77
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA2CTC0.77
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E820.77
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E810.77
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.75
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.75
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.75
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.75
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.75
HDI3-(4-HYDROXYPHENYL)-4,5-DIHYDRO-
5-ISOXAZOLE-ACETIC ACID METHYL ESTER
A,B,C1LJT0.75
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.75
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.75
CLT4-PHENYL-BUTANOIC ACIDA1THL0.74
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.74
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.74
HCIHYDROCINNAMIC ACIDA,B1BXG0.73
HCIHYDROCINNAMIC ACIDA,B1TOG0.73
HCIHYDROCINNAMIC ACIDA,B1V2F0.73
HCIHYDROCINNAMIC ACIDA,B1AHX0.73
HCIHYDROCINNAMIC ACIDA1TOI0.73
HCIHYDROCINNAMIC ACIDA,B1AY80.73
HCIHYDROCINNAMIC ACIDA1TOJ0.73
SMN(S)-MANDELIC ACIDA1MDL0.73
M08(5R,7R,8S,9S,10R)-7-(hydroxymethyl)-
3-phenyl-1,6-dioxa-2-azaspiro[4.5]dec-
2-ene-8,9,10-triol
A2QRH0.73
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
5PV5-PHENYLVALERIC ACIDA,B2AY90.72
PAC2-PHENYLACETIC ACIDB1PNL0.71
PAC2-PHENYLACETIC ACIDB1K5Q0.71
PAC2-PHENYLACETIC ACIDB1FXH0.71
PAC2-PHENYLACETIC ACIDA2ISF0.71
PAC2-PHENYLACETIC ACIDA2INE0.71
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.71
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
APAAMIDO PHENYL PYRUVIC ACIDH,I1AHT0.7
APAAMIDO PHENYL PYRUVIC ACIDA,B,C,D1A0L0.7
APAAMIDO PHENYL PYRUVIC ACIDA1TPP0.7