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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00007257

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HCT(2R)-butane-1,2,4-tricarboxylic acidA,B,C3DP80.71
HCT(2R)-butane-1,2,4-tricarboxylic acidA,B,C3E3K0.71
3PA3-CYCLOPENTYL-PROPIONIC ACIDC1FAV0.71
2ML2-METHYLLEUCINEA,B,C1I1L0.74
2ML2-METHYLLEUCINEA2RM90.74
2ML2-METHYLLEUCINEA2RMD0.74
PIVPIVALIC ACIDB,D,F,H1SMR0.72
DTGDES-AMINO T-BUTYL GLYCINEA,B,C,D2WPO0.79
4MV4-METHYL VALERIC ACIDA,B,C1I1M1
4MV4-METHYL VALERIC ACIDA,B,C2EIY1
4MV4-METHYL VALERIC ACIDA2ECO1
4MV4-METHYL VALERIC ACIDA,C,D1UMC1
4MV4-METHYL VALERIC ACIDA,B2COG1
SHFLAEVULINIC ACIDA1YLV0.77
SHFLAEVULINIC ACIDA1H7N0.77
SHO5-HYDROXYLAEVULINIC ACIDA1W310.72
MAH3-HYDROXY-3-METHYL-GLUTARIC ACIDA,B,C,D1DQA0.71
MAH3-HYDROXY-3-METHYL-GLUTARIC ACIDA,B,C,D1DQ80.71
ALQ2-METHYL-PROPIONIC ACIDC,D1FKN0.77
ALQ2-METHYL-PROPIONIC ACIDC,D2ZHR0.77
ALQ2-METHYL-PROPIONIC ACIDA1IUP0.77
ALQ2-METHYL-PROPIONIC ACIDC,D1M4H0.77
ALQ2-METHYL-PROPIONIC ACIDA1R6N0.77
ALQ2-METHYL-PROPIONIC ACIDE,F,G,H1XN20.77
G88(2S)-2-(PHOSPHONOMETHYL)PENTANEDIOIC ACIDA2JBJ0.71
G88(2S)-2-(PHOSPHONOMETHYL)PENTANEDIOIC ACIDA2PVW0.71
GUAGLUTARIC ACIDA,B1JW00.74
GUAGLUTARIC ACIDA,B,C,D1B4N0.74
GUAGLUTARIC ACIDA1AMS0.74
GUAGLUTARIC ACIDA,B1XEY0.74
GUAGLUTARIC ACIDA1CZC0.74
GUAGLUTARIC ACIDA,B,C1IYD0.74
6NAHEXANOIC ACIDA,B2IX40.79
6NAHEXANOIC ACIDA,B2IWZ0.79
6NAHEXANOIC ACIDA2IQ00.79
LNG12-METHYLTRIDECANOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1W3M0.76
CCM1-METHYL-1-CARBOXY-CYCLOPENTANEA1THL0.77
SMB2-METHYLBUTANOIC ACIDA,B,C1YA80.87
SMB2-METHYLBUTANOIC ACIDA1UKA0.87
IVAISOVALERIC ACIDA1YOO0.87
IVAISOVALERIC ACIDE,I4ER20.87
IVAISOVALERIC ACIDE,I1APU0.87
IVAISOVALERIC ACIDE,I1APW0.87
IVAISOVALERIC ACIDE,I1APT0.87
IVAISOVALERIC ACIDA2D5Y0.87
IVAISOVALERIC ACIDA,I1GA40.87
IVAISOVALERIC ACIDE,I1PPK0.87
IVAISOVALERIC ACIDA,B,C,D1QS80.87
IVAISOVALERIC ACIDA,B,C1NLU0.87
IVAISOVALERIC ACIDA,B2RMP0.87
IVAISOVALERIC ACIDA,B1KE10.87
IVAISOVALERIC ACIDE,I1PPL0.87
IVAISOVALERIC ACIDA,B,C,D,I,J1LYB0.87
IVAISOVALERIC ACIDA2D640.87
IVAISOVALERIC ACIDI2ER00.87
IVAISOVALERIC ACIDI1QRP0.87
IVAISOVALERIC ACIDE,I1APV0.87
IVAISOVALERIC ACIDA,B1KDZ0.87
IVAISOVALERIC ACIDA1UK90.87
IVAISOVALERIC ACIDA,I1WKR0.87
IVAISOVALERIC ACIDA,I3FNT0.87
IVAISOVALERIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		3FV30.87
IVAISOVALERIC ACIDI1PSO0.87
IVAISOVALERIC ACIDI6APR0.87
IVAISOVALERIC ACIDA2D630.87
0PAcyclopentylacetic acidA,B3DWR0.75
TRCTRICARBALLYLIC ACIDA6ACN0.74
TRCTRICARBALLYLIC ACIDA,B2PW00.74
TRCTRICARBALLYLIC ACIDA5ACN0.74
KIV3-METHYL-2-OXOBUTANOIC ACIDA,B1KTA0.77
KIV3-METHYL-2-OXOBUTANOIC ACIDA1HJG0.77
KIV3-METHYL-2-OXOBUTANOIC ACIDA,B1SR90.77
KIV3-METHYL-2-OXOBUTANOIC ACIDA,B,C,D,E1O680.77
COI2-OXO-4-METHYLPENTANOIC ACIDA,B1QS00.89
COI2-OXO-4-METHYLPENTANOIC ACIDA,C1UMD0.89
COI2-OXO-4-METHYLPENTANOIC ACIDA1DXY0.89
COI2-OXO-4-METHYLPENTANOIC ACIDA,B2HDK0.89
COI2-OXO-4-METHYLPENTANOIC ACIDA1HJF0.89
BUABUTANOIC ACIDA2CZ00.77
BUABUTANOIC ACIDA1P0I0.77
BUABUTANOIC ACIDA,B2HA70.77
BUABUTANOIC ACIDA1UK70.77
BUABUTANOIC ACIDA2J4C0.77
BUABUTANOIC ACIDA1ZRM0.77
BUABUTANOIC ACIDA3DLT0.77
BUABUTANOIC ACIDA1UGP0.77
BUABUTANOIC ACIDA,B2CZ10.77
SLE2-(THIOMETHYLENE)-4-METHYLPENTANOIC ACIDA,B1ATL0.84
SHVHEPTANOIC ACIDA1PO80.73
1LU4-METHYL-PENTANOIC ACID-2-OXYL GROUPE,I6TMN0.78
1LU4-METHYL-PENTANOIC ACID-2-OXYL GROUPI1DS20.78
2PP2-PROPYL-PENTANOIC ACIDP1DIT0.86
LEALEVULINIC ACIDP1VWR0.87
LEALEVULINIC ACIDM,P1VWJ0.87
LEALEVULINIC ACIDA,B1W1Z0.87
LEALEVULINIC ACIDA,B1B4K0.87
LEALEVULINIC ACIDM,P1VWK0.87
LEALEVULINIC ACIDP1VWQ0.87
LEALEVULINIC ACIDA1UK80.87
LEALEVULINIC ACIDM,P1VWL0.87
LEALEVULINIC ACIDM,P1VWI0.87
LEALEVULINIC ACIDA1B4E0.87
LMLISOBUTYL MALONIC ACIDA1BFW0.86