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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03505153

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2KT2-KETOBUTYRIC ACIDA1RR20.74
2KT2-KETOBUTYRIC ACIDA,B,C2UYN0.74
2KT2-KETOBUTYRIC ACIDA,B,C,D1TZK0.74
2KT2-KETOBUTYRIC ACIDX2Q1C0.74
2KT2-KETOBUTYRIC ACIDX2Q1A0.74
SHFLAEVULINIC ACIDA1YLV0.7
SHFLAEVULINIC ACIDA1H7N0.7
DTGDES-AMINO T-BUTYL GLYCINEA,B,C,D2WPO0.76
COI2-OXO-4-METHYLPENTANOIC ACIDA,B1QS00.76
COI2-OXO-4-METHYLPENTANOIC ACIDA,C1UMD0.76
COI2-OXO-4-METHYLPENTANOIC ACIDA1DXY0.76
COI2-OXO-4-METHYLPENTANOIC ACIDA,B2HDK0.76
COI2-OXO-4-METHYLPENTANOIC ACIDA1HJF0.76
HIU(2R)-3-HYDROXY-2-METHYLPROPANOIC ACIDA3BPT0.72
ALQ2-METHYL-PROPIONIC ACIDC,D1FKN0.75
ALQ2-METHYL-PROPIONIC ACIDC,D2ZHR0.75
ALQ2-METHYL-PROPIONIC ACIDA1IUP0.75
ALQ2-METHYL-PROPIONIC ACIDC,D1M4H0.75
ALQ2-METHYL-PROPIONIC ACIDA1R6N0.75
ALQ2-METHYL-PROPIONIC ACIDE,F,G,H1XN20.75
LMLISOBUTYL MALONIC ACIDA1BFW0.79
IVAISOVALERIC ACIDA1YOO0.84
IVAISOVALERIC ACIDE,I4ER20.84
IVAISOVALERIC ACIDE,I1APU0.84
IVAISOVALERIC ACIDE,I1APW0.84
IVAISOVALERIC ACIDE,I1APT0.84
IVAISOVALERIC ACIDA2D5Y0.84
IVAISOVALERIC ACIDA,I1GA40.84
IVAISOVALERIC ACIDE,I1PPK0.84
IVAISOVALERIC ACIDA,B,C,D1QS80.84
IVAISOVALERIC ACIDA,B,C1NLU0.84
IVAISOVALERIC ACIDA,B2RMP0.84
IVAISOVALERIC ACIDA,B1KE10.84
IVAISOVALERIC ACIDE,I1PPL0.84
IVAISOVALERIC ACIDA,B,C,D,I,J1LYB0.84
IVAISOVALERIC ACIDA2D640.84
IVAISOVALERIC ACIDI2ER00.84
IVAISOVALERIC ACIDI1QRP0.84
IVAISOVALERIC ACIDE,I1APV0.84
IVAISOVALERIC ACIDA,B1KDZ0.84
IVAISOVALERIC ACIDA1UK90.84
IVAISOVALERIC ACIDA,I1WKR0.84
IVAISOVALERIC ACIDA,I3FNT0.84
IVAISOVALERIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
3FV30.84
IVAISOVALERIC ACIDI1PSO0.84
IVAISOVALERIC ACIDI6APR0.84
IVAISOVALERIC ACIDA2D630.84
HBU4-[HYDROXY-[METHYL-PHOSPHINOYL]]-
3-OXO-BUTANOIC ACID
A,B1HYO0.71
3HL(3S)-3-HYDROXYBUTANOIC ACIDA2ECQ0.73
3HL(3S)-3-HYDROXYBUTANOIC ACIDA,B,C,D3EEW0.73
SMB2-METHYLBUTANOIC ACIDA,B,C1YA80.84
SMB2-METHYLBUTANOIC ACIDA1UKA0.84
4MV4-METHYL VALERIC ACIDA,B,C1I1M0.75
4MV4-METHYL VALERIC ACIDA,B,C2EIY0.75
4MV4-METHYL VALERIC ACIDA2ECO0.75
4MV4-METHYL VALERIC ACIDA,C,D1UMC0.75
4MV4-METHYL VALERIC ACIDA,B2COG0.75
BUABUTANOIC ACIDA2CZ00.75
BUABUTANOIC ACIDA1P0I0.75
BUABUTANOIC ACIDA,B2HA70.75
BUABUTANOIC ACIDA1UK70.75
BUABUTANOIC ACIDA2J4C0.75
BUABUTANOIC ACIDA1ZRM0.75
BUABUTANOIC ACIDA3DLT0.75
BUABUTANOIC ACIDA1UGP0.75
BUABUTANOIC ACIDA,B2CZ10.75
AAEACETOACETIC ACIDA,B,C,D3EEW0.88
AAEACETOACETIC ACIDA1FCP0.88
AAEACETOACETIC ACIDA1UJW0.88
AAEACETOACETIC ACIDA,B1QCO0.88
AAEACETOACETIC ACIDA,B,C,D,L1E3W0.88
AAEACETOACETIC ACIDA,B1YSL0.88
AAEACETOACETIC ACIDA2FCP0.88
DXXMETHYLMALONIC ACIDA1CWZ0.76
DXXMETHYLMALONIC ACIDA,B,C,D,E,F1ON30.76
DXXMETHYLMALONIC ACIDA1CW80.76
KPLKETOPANTOATEA,B,C,D,E,F,
G,H,I,J
1M3U0.71
KIV3-METHYL-2-OXOBUTANOIC ACIDA,B1KTA0.85
KIV3-METHYL-2-OXOBUTANOIC ACIDA1HJG0.85
KIV3-METHYL-2-OXOBUTANOIC ACIDA,B1SR90.85
KIV3-METHYL-2-OXOBUTANOIC ACIDA,B,C,D,E1O680.85
VADDEAMINOHYDROXYVALINEC1CWO0.7