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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02904009

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2PP2-PROPYL-PENTANOIC ACIDP1DIT0.82
4MV4-METHYL VALERIC ACIDA,B,C1I1M0.7
4MV4-METHYL VALERIC ACIDA,B,C2EIY0.7
4MV4-METHYL VALERIC ACIDA2ECO0.7
4MV4-METHYL VALERIC ACIDA,C,D1UMC0.7
4MV4-METHYL VALERIC ACIDA,B2COG0.7
HOC(2S)-2-HYDROXYOCTANOIC ACIDA2A850.71
GVM(3R)-3-HYDROXY-5,5-DIMETHYLHEXANOIC ACIDA,B2UW10.76
HCT(2R)-butane-1,2,4-tricarboxylic acidA,B,C3DP80.7
HCT(2R)-butane-1,2,4-tricarboxylic acidA,B,C3E3K0.7
3PA3-CYCLOPENTYL-PROPIONIC ACIDC1FAV0.7
HXD(3R)-3-HYDROXYDODECANOIC ACIDA2DDH0.73
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFF0.73
FTT3-HYDROXY-TETRADECANOIC ACIDA1QJQ0.73
FTT3-HYDROXY-TETRADECANOIC ACIDA,B2GRX0.73
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFG0.73
FTT3-HYDROXY-TETRADECANOIC ACIDA1QKC0.73
FTT3-HYDROXY-TETRADECANOIC ACIDA1FI10.73
FTT3-HYDROXY-TETRADECANOIC ACIDA,B,C,D3FXI0.73
12H12-HYDROXYDODECANOIC ACIDA,B1M6W0.71
1LU4-METHYL-PENTANOIC ACID-2-OXYL GROUPE,I6TMN0.75
1LU4-METHYL-PENTANOIC ACID-2-OXYL GROUPI1DS20.75
IPM3-ISOPROPYLMALIC ACIDA,B1A050.72
IPM3-ISOPROPYLMALIC ACIDA1HJ60.72
LNG12-METHYLTRIDECANOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.73
3OC(1R)-3-oxocyclohexanecarboxylic acidA,B3DZL0.71
LTL6-HYDROXY-6-METHYL-HEPTAN-3-ONEA1I050.72
F24(3R,5S,7R,12S,13R)-13-FORMYL-12,14-
DIHYDROXY-3,5,7-TRIMETHYLTETRADECANOIC ACID
A2F9A0.72
CXPCYCLOHEXANE PROPIONIC ACIDA,B2AY20.72