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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00006892

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ALQ2-METHYL-PROPIONIC ACIDC,D1FKN0.78
ALQ2-METHYL-PROPIONIC ACIDC,D2ZHR0.78
ALQ2-METHYL-PROPIONIC ACIDA1IUP0.78
ALQ2-METHYL-PROPIONIC ACIDC,D1M4H0.78
ALQ2-METHYL-PROPIONIC ACIDA1R6N0.78
ALQ2-METHYL-PROPIONIC ACIDE,F,G,H1XN20.78
4MV4-METHYL VALERIC ACIDA,B,C1I1M0.77
4MV4-METHYL VALERIC ACIDA,B,C2EIY0.77
4MV4-METHYL VALERIC ACIDA2ECO0.77
4MV4-METHYL VALERIC ACIDA,C,D1UMC0.77
4MV4-METHYL VALERIC ACIDA,B2COG0.77
DTGDES-AMINO T-BUTYL GLYCINEA,B,C,D2WPO0.79
TSD3-TRIMETHYLSILYL-PROPIONATE-2,2,3,3,-
D4		A1TUJ0.79
SMB2-METHYLBUTANOIC ACIDA,B,C1YA80.89
SMB2-METHYLBUTANOIC ACIDA1UKA0.89
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
IVAISOVALERIC ACIDA1YOO0.89
IVAISOVALERIC ACIDE,I4ER20.89
IVAISOVALERIC ACIDE,I1APU0.89
IVAISOVALERIC ACIDE,I1APW0.89
IVAISOVALERIC ACIDE,I1APT0.89
IVAISOVALERIC ACIDA2D5Y0.89
IVAISOVALERIC ACIDA,I1GA40.89
IVAISOVALERIC ACIDE,I1PPK0.89
IVAISOVALERIC ACIDA,B,C,D1QS80.89
IVAISOVALERIC ACIDA,B,C1NLU0.89
IVAISOVALERIC ACIDA,B2RMP0.89
IVAISOVALERIC ACIDA,B1KE10.89
IVAISOVALERIC ACIDE,I1PPL0.89
IVAISOVALERIC ACIDA,B,C,D,I,J1LYB0.89
IVAISOVALERIC ACIDA2D640.89
IVAISOVALERIC ACIDI2ER00.89
IVAISOVALERIC ACIDI1QRP0.89
IVAISOVALERIC ACIDE,I1APV0.89
IVAISOVALERIC ACIDA,B1KDZ0.89
IVAISOVALERIC ACIDA1UK90.89
IVAISOVALERIC ACIDA,I1WKR0.89
IVAISOVALERIC ACIDA,I3FNT0.89
IVAISOVALERIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		3FV30.89
IVAISOVALERIC ACIDI1PSO0.89
IVAISOVALERIC ACIDI6APR0.89
IVAISOVALERIC ACIDA2D630.89
PIVPIVALIC ACIDB,D,F,H1SMR0.71
BUABUTANOIC ACIDA2CZ00.78
BUABUTANOIC ACIDA1P0I0.78
BUABUTANOIC ACIDA,B2HA70.78
BUABUTANOIC ACIDA1UK70.78
BUABUTANOIC ACIDA2J4C0.78
BUABUTANOIC ACIDA1ZRM0.78
BUABUTANOIC ACIDA3DLT0.78
BUABUTANOIC ACIDA1UGP0.78
BUABUTANOIC ACIDA,B2CZ10.78
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