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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00552200

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BFLA,B1Q4G0.81
5PV5-PHENYLVALERIC ACIDA,B2AY90.78
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.74
4FCA1YSG0.71
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.7
BEY(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-
2-benzylpropanoic acid
A3EBI0.71
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.8
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.77
CLT4-PHENYL-BUTANOIC ACIDA1THL0.78
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.78
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.78
DFADIPHENYLACETIC ACIDA,B,C1GMY0.81
CPMS-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-
S-METHANE
A1CPS0.73
BZSL-BENZYLSUCCINIC ACIDA1CBX0.85
BZSL-BENZYLSUCCINIC ACIDA1HYT0.85
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.85
7912-PHENYLMALONIC ACIDA1O4P0.76
1LPTRANYLCYPROMINEA,B1OJB0.72
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.79
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.79
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.72
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.8
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.8
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.8
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.8
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.8
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.8
26CA,B2F7I0.7
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.71