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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03376028

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ITL(3alpha,5alpha,8alpha)-3-[(N,N-
bis{2-[bis(carboxymethyl)amino]ethyl}-
L-gamma-glutamyl)amino]cholan-24-
oic acid
A2K620.71
AMK(S)-4-AMINO-4-{(S)-1-[(S)-2-CARBAMOYL-
1-((S)-1-{(S)-[(1R,2R)-2-((S)-1-
CARBOXY-ETHYLCARBAMOYL)-CYCLOPENTYL]-
HYDROXY-METHYL}-3-METHYL-BUTYLCARBAMOYL)-
ETHYLCARBAMOYL]-2-METHYL-PROPYLCARBAMOYL}-
BUTYRIC ACID
A,B,C1YM40.75
SLA(3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-
2-methylpropyl]-4-methyl-5-oxo-
D-proline
H,K,V,Y3DY40.7
ABX5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-
4-(METHOXYCARBONYL)PROLINE
A1XOE0.72
ABW5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-
2,5-ANHYDRO-3,4-DIDEOXY-4-(METHOXYCARBONYL)PENTONIC ACID
A1XOG0.72
GCHGLYCOCHOLIC ACIDA2B000.75
GCHGLYCOCHOLIC ACIDA1EIO0.75
ECQ(3S)-3-[(2S)-2-AMINO-3-HYDROXYBUTYL]PYRROLIDIN-
2-ONE
A,I2Z3D0.72
CHOGLYCOCHENODEOXYCHOLIC ACIDA,B1FMC0.75
CHOGLYCOCHENODEOXYCHOLIC ACIDA,B1AHI0.75
CHOGLYCOCHENODEOXYCHOLIC ACIDA2B040.75
SLR(3R,4R)-3-hydroxy-2-[(1S)-1-hydroxy-
2-methylpropyl]-4-methyl-5-oxo-
D-proline
K,Y3DY30.7