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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00007025

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
KTA(S)-CYCLOHEXANONE-2-ACETATEA,B2J5S0.71
SMB2-METHYLBUTANOIC ACIDA,B,C1YA80.7
SMB2-METHYLBUTANOIC ACIDA1UKA0.7
3PA3-CYCLOPENTYL-PROPIONIC ACIDC1FAV0.88
AC51-AMINOCYCLOPENTANECARBOXYLIC ACIDA,B1Y1M0.73
2PP2-PROPYL-PENTANOIC ACIDP1DIT0.8
HCT(2R)-butane-1,2,4-tricarboxylic acidA,B,C3DP80.79
HCT(2R)-butane-1,2,4-tricarboxylic acidA,B,C3E3K0.79
IVAISOVALERIC ACIDA1YOO0.7
IVAISOVALERIC ACIDE,I4ER20.7
IVAISOVALERIC ACIDE,I1APU0.7
IVAISOVALERIC ACIDE,I1APW0.7
IVAISOVALERIC ACIDE,I1APT0.7
IVAISOVALERIC ACIDA2D5Y0.7
IVAISOVALERIC ACIDA,I1GA40.7
IVAISOVALERIC ACIDE,I1PPK0.7
IVAISOVALERIC ACIDA,B,C,D1QS80.7
IVAISOVALERIC ACIDA,B,C1NLU0.7
IVAISOVALERIC ACIDA,B2RMP0.7
IVAISOVALERIC ACIDA,B1KE10.7
IVAISOVALERIC ACIDE,I1PPL0.7
IVAISOVALERIC ACIDA,B,C,D,I,J1LYB0.7
IVAISOVALERIC ACIDA2D640.7
IVAISOVALERIC ACIDI2ER00.7
IVAISOVALERIC ACIDI1QRP0.7
IVAISOVALERIC ACIDE,I1APV0.7
IVAISOVALERIC ACIDA,B1KDZ0.7
IVAISOVALERIC ACIDA1UK90.7
IVAISOVALERIC ACIDA,I1WKR0.7
IVAISOVALERIC ACIDA,I3FNT0.7
IVAISOVALERIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		3FV30.7
IVAISOVALERIC ACIDI1PSO0.7
IVAISOVALERIC ACIDI6APR0.7
IVAISOVALERIC ACIDA2D630.7
LEALEVULINIC ACIDP1VWR0.7
LEALEVULINIC ACIDM,P1VWJ0.7
LEALEVULINIC ACIDA,B1W1Z0.7
LEALEVULINIC ACIDA,B1B4K0.7
LEALEVULINIC ACIDM,P1VWK0.7
LEALEVULINIC ACIDP1VWQ0.7
LEALEVULINIC ACIDA1UK80.7
LEALEVULINIC ACIDM,P1VWL0.7
LEALEVULINIC ACIDM,P1VWI0.7
LEALEVULINIC ACIDA1B4E0.7
CCM1-METHYL-1-CARBOXY-CYCLOPENTANEA1THL0.9
LMLISOBUTYL MALONIC ACIDA1BFW0.71
LNG12-METHYLTRIDECANOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1W3M0.75
4MV4-METHYL VALERIC ACIDA,B,C1I1M0.81
4MV4-METHYL VALERIC ACIDA,B,C2EIY0.81
4MV4-METHYL VALERIC ACIDA2ECO0.81
4MV4-METHYL VALERIC ACIDA,C,D1UMC0.81
4MV4-METHYL VALERIC ACIDA,B2COG0.81
PMLPIMELIC ACIDA1KGT0.73
6NAHEXANOIC ACIDA,B2IX40.78
6NAHEXANOIC ACIDA,B2IWZ0.78
6NAHEXANOIC ACIDA2IQ00.78
3OC(1R)-3-oxocyclohexanecarboxylic acidA,B3DZL0.76
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA3HF00.71
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA,B,D,E,F3FDM0.71
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA3C3H0.71
COI2-OXO-4-METHYLPENTANOIC ACIDA,B1QS00.73
COI2-OXO-4-METHYLPENTANOIC ACIDA,C1UMD0.73
COI2-OXO-4-METHYLPENTANOIC ACIDA1DXY0.73
COI2-OXO-4-METHYLPENTANOIC ACIDA,B2HDK0.73
COI2-OXO-4-METHYLPENTANOIC ACIDA1HJF0.73
0PAcyclopentylacetic acidA,B3DWR0.92
CXPCYCLOHEXANE PROPIONIC ACIDA,B2AY20.77
SHVHEPTANOIC ACIDA1PO80.73