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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03506868

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IPM3-ISOPROPYLMALIC ACIDA,B1A050.71
IPM3-ISOPROPYLMALIC ACIDA1HJ60.71
RB3(1R)-3-{[(1R)-3-METHOXY-1-METHYL-
3-OXOPROPYL]OXY}-1-METHYL-3-OXOPROPYL (3R)-
3-HYDROXYBUTANOATE
A2D810.8
DXXMETHYLMALONIC ACIDA1CWZ0.7
DXXMETHYLMALONIC ACIDA,B,C,D,E,F1ON30.7
DXXMETHYLMALONIC ACIDA1CW80.7
3HL(3S)-3-HYDROXYBUTANOIC ACIDA2ECQ0.91
3HL(3S)-3-HYDROXYBUTANOIC ACIDA,B,C,D3EEW0.91
IVAISOVALERIC ACIDA1YOO0.77
IVAISOVALERIC ACIDE,I4ER20.77
IVAISOVALERIC ACIDE,I1APU0.77
IVAISOVALERIC ACIDE,I1APW0.77
IVAISOVALERIC ACIDE,I1APT0.77
IVAISOVALERIC ACIDA2D5Y0.77
IVAISOVALERIC ACIDA,I1GA40.77
IVAISOVALERIC ACIDE,I1PPK0.77
IVAISOVALERIC ACIDA,B,C,D1QS80.77
IVAISOVALERIC ACIDA,B,C1NLU0.77
IVAISOVALERIC ACIDA,B2RMP0.77
IVAISOVALERIC ACIDA,B1KE10.77
IVAISOVALERIC ACIDE,I1PPL0.77
IVAISOVALERIC ACIDA,B,C,D,I,J1LYB0.77
IVAISOVALERIC ACIDA2D640.77
IVAISOVALERIC ACIDI2ER00.77
IVAISOVALERIC ACIDI1QRP0.77
IVAISOVALERIC ACIDE,I1APV0.77
IVAISOVALERIC ACIDA,B1KDZ0.77
IVAISOVALERIC ACIDA1UK90.77
IVAISOVALERIC ACIDA,I1WKR0.77
IVAISOVALERIC ACIDA,I3FNT0.77
IVAISOVALERIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
3FV30.77
IVAISOVALERIC ACIDI1PSO0.77
IVAISOVALERIC ACIDI6APR0.77
IVAISOVALERIC ACIDA2D630.77
AAEACETOACETIC ACIDA,B,C,D3EEW0.7
AAEACETOACETIC ACIDA1FCP0.7
AAEACETOACETIC ACIDA1UJW0.7
AAEACETOACETIC ACIDA,B1QCO0.7
AAEACETOACETIC ACIDA,B,C,D,L1E3W0.7
AAEACETOACETIC ACIDA,B1YSL0.7
AAEACETOACETIC ACIDA2FCP0.7
KPLKETOPANTOATEA,B,C,D,E,F,
G,H,I,J
1M3U0.74
BUQ4-HYDROXY-2-BUTANONEA,B1D7J0.72
MEV(R)-MEVALONATEA,B1QAY0.77
MEV(R)-MEVALONATEA2HFU0.77
MEV(R)-MEVALONATEA,B1R310.77
3HG3-HYDROXYPENTANEDIOIC ACIDA,B,C,D,E,F2CW60.74
DMV2,3-DIHYDROXY-VALERIANIC ACIDA,B,C,D1QMG0.76
3PB(3R)-3-(phosphonooxy)butanoic acidA,B,C,D,E,F3FG80.74
HIU(2R)-3-HYDROXY-2-METHYLPROPANOIC ACIDA3BPT0.86
1LU4-METHYL-PENTANOIC ACID-2-OXYL GROUPE,I6TMN0.74
1LU4-METHYL-PENTANOIC ACID-2-OXYL GROUPI1DS20.74
3OH3-HYDROXY-PROPANOIC ACIDA1M330.71
KIV3-METHYL-2-OXOBUTANOIC ACIDA,B1KTA0.74
KIV3-METHYL-2-OXOBUTANOIC ACIDA1HJG0.74
KIV3-METHYL-2-OXOBUTANOIC ACIDA,B1SR90.74
KIV3-METHYL-2-OXOBUTANOIC ACIDA,B,C,D,E1O680.74
LMLISOBUTYL MALONIC ACIDA1BFW0.73
DTGDES-AMINO T-BUTYL GLYCINEA,B,C,D2WPO0.7
GVM(3R)-3-HYDROXY-5,5-DIMETHYLHEXANOIC ACIDA,B2UW10.72
PAFPANTOATEA,B2OFP0.73
PAFPANTOATEA,B1N2E0.73
PAFPANTOATEA,B1N2B0.73
PAFPANTOATEA,B1N2J0.73