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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02543705

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3OC(1R)-3-oxocyclohexanecarboxylic acidA,B3DZL0.73
SLE2-(THIOMETHYLENE)-4-METHYLPENTANOIC ACIDA,B1ATL0.71
IVAISOVALERIC ACIDA1YOO0.72
IVAISOVALERIC ACIDE,I4ER20.72
IVAISOVALERIC ACIDE,I1APU0.72
IVAISOVALERIC ACIDE,I1APW0.72
IVAISOVALERIC ACIDE,I1APT0.72
IVAISOVALERIC ACIDA2D5Y0.72
IVAISOVALERIC ACIDA,I1GA40.72
IVAISOVALERIC ACIDE,I1PPK0.72
IVAISOVALERIC ACIDA,B,C,D1QS80.72
IVAISOVALERIC ACIDA,B,C1NLU0.72
IVAISOVALERIC ACIDA,B2RMP0.72
IVAISOVALERIC ACIDA,B1KE10.72
IVAISOVALERIC ACIDE,I1PPL0.72
IVAISOVALERIC ACIDA,B,C,D,I,J1LYB0.72
IVAISOVALERIC ACIDA2D640.72
IVAISOVALERIC ACIDI2ER00.72
IVAISOVALERIC ACIDI1QRP0.72
IVAISOVALERIC ACIDE,I1APV0.72
IVAISOVALERIC ACIDA,B1KDZ0.72
IVAISOVALERIC ACIDA1UK90.72
IVAISOVALERIC ACIDA,I1WKR0.72
IVAISOVALERIC ACIDA,I3FNT0.72
IVAISOVALERIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		3FV30.72
IVAISOVALERIC ACIDI1PSO0.72
IVAISOVALERIC ACIDI6APR0.72
IVAISOVALERIC ACIDA2D630.72
SMB2-METHYLBUTANOIC ACIDA,B,C1YA80.72
SMB2-METHYLBUTANOIC ACIDA1UKA0.72
6NAHEXANOIC ACIDA,B2IX40.81
6NAHEXANOIC ACIDA,B2IWZ0.81
6NAHEXANOIC ACIDA2IQ00.81
LEALEVULINIC ACIDP1VWR0.72
LEALEVULINIC ACIDM,P1VWJ0.72
LEALEVULINIC ACIDA,B1W1Z0.72
LEALEVULINIC ACIDA,B1B4K0.72
LEALEVULINIC ACIDM,P1VWK0.72
LEALEVULINIC ACIDP1VWQ0.72
LEALEVULINIC ACIDA1UK80.72
LEALEVULINIC ACIDM,P1VWL0.72
LEALEVULINIC ACIDM,P1VWI0.72
LEALEVULINIC ACIDA1B4E0.72
0PAcyclopentylacetic acidA,B3DWR0.8
CXPCYCLOHEXANE PROPIONIC ACIDA,B2AY20.75
LMLISOBUTYL MALONIC ACIDA1BFW0.73
CCM1-METHYL-1-CARBOXY-CYCLOPENTANEA1THL0.78
HCT(2R)-butane-1,2,4-tricarboxylic acidA,B,C3DP80.77
HCT(2R)-butane-1,2,4-tricarboxylic acidA,B,C3E3K0.77
3PA3-CYCLOPENTYL-PROPIONIC ACIDC1FAV0.77
4AT5-OXOHEXANOIC ACIDA,B2EFY0.71
LNG12-METHYLTRIDECANOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1W3M0.77
SHVHEPTANOIC ACIDA1PO80.74
4MV4-METHYL VALERIC ACIDA,B,C1I1M0.83
4MV4-METHYL VALERIC ACIDA,B,C2EIY0.83
4MV4-METHYL VALERIC ACIDA2ECO0.83
4MV4-METHYL VALERIC ACIDA,C,D1UMC0.83
4MV4-METHYL VALERIC ACIDA,B2COG0.83
PMLPIMELIC ACIDA1KGT0.74
2PP2-PROPYL-PENTANOIC ACIDP1DIT0.78
COI2-OXO-4-METHYLPENTANOIC ACIDA,B1QS00.75
COI2-OXO-4-METHYLPENTANOIC ACIDA,C1UMD0.75
COI2-OXO-4-METHYLPENTANOIC ACIDA1DXY0.75
COI2-OXO-4-METHYLPENTANOIC ACIDA,B2HDK0.75
COI2-OXO-4-METHYLPENTANOIC ACIDA1HJF0.75