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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02342230

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DXXMETHYLMALONIC ACIDA1CWZ0.78
DXXMETHYLMALONIC ACIDA,B,C,D,E,F1ON30.78
DXXMETHYLMALONIC ACIDA1CW80.78
MEV(R)-MEVALONATEA,B1QAY0.75
MEV(R)-MEVALONATEA2HFU0.75
MEV(R)-MEVALONATEA,B1R310.75
MAH3-HYDROXY-3-METHYL-GLUTARIC ACIDA,B,C,D1DQA0.79
MAH3-HYDROXY-3-METHYL-GLUTARIC ACIDA,B,C,D1DQ80.79
LEALEVULINIC ACIDP1VWR0.75
LEALEVULINIC ACIDM,P1VWJ0.75
LEALEVULINIC ACIDA,B1W1Z0.75
LEALEVULINIC ACIDA,B1B4K0.75
LEALEVULINIC ACIDM,P1VWK0.75
LEALEVULINIC ACIDP1VWQ0.75
LEALEVULINIC ACIDA1UK80.75
LEALEVULINIC ACIDM,P1VWL0.75
LEALEVULINIC ACIDM,P1VWI0.75
LEALEVULINIC ACIDA1B4E0.75
4MV4-METHYL VALERIC ACIDA,B,C1I1M0.86
4MV4-METHYL VALERIC ACIDA,B,C2EIY0.86
4MV4-METHYL VALERIC ACIDA2ECO0.86
4MV4-METHYL VALERIC ACIDA,C,D1UMC0.86
4MV4-METHYL VALERIC ACIDA,B2COG0.86
SMB2-METHYLBUTANOIC ACIDA,B,C1YA80.75
SMB2-METHYLBUTANOIC ACIDA1UKA0.75
IVAISOVALERIC ACIDA1YOO0.75
IVAISOVALERIC ACIDE,I4ER20.75
IVAISOVALERIC ACIDE,I1APU0.75
IVAISOVALERIC ACIDE,I1APW0.75
IVAISOVALERIC ACIDE,I1APT0.75
IVAISOVALERIC ACIDA2D5Y0.75
IVAISOVALERIC ACIDA,I1GA40.75
IVAISOVALERIC ACIDE,I1PPK0.75
IVAISOVALERIC ACIDA,B,C,D1QS80.75
IVAISOVALERIC ACIDA,B,C1NLU0.75
IVAISOVALERIC ACIDA,B2RMP0.75
IVAISOVALERIC ACIDA,B1KE10.75
IVAISOVALERIC ACIDE,I1PPL0.75
IVAISOVALERIC ACIDA,B,C,D,I,J1LYB0.75
IVAISOVALERIC ACIDA2D640.75
IVAISOVALERIC ACIDI2ER00.75
IVAISOVALERIC ACIDI1QRP0.75
IVAISOVALERIC ACIDE,I1APV0.75
IVAISOVALERIC ACIDA,B1KDZ0.75
IVAISOVALERIC ACIDA1UK90.75
IVAISOVALERIC ACIDA,I1WKR0.75
IVAISOVALERIC ACIDA,I3FNT0.75
IVAISOVALERIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		3FV30.75
IVAISOVALERIC ACIDI1PSO0.75
IVAISOVALERIC ACIDI6APR0.75
IVAISOVALERIC ACIDA2D630.75
2PP2-PROPYL-PENTANOIC ACIDP1DIT0.76
IPM3-ISOPROPYLMALIC ACIDA,B1A050.7
IPM3-ISOPROPYLMALIC ACIDA1HJ60.7
COI2-OXO-4-METHYLPENTANOIC ACIDA,B1QS00.78
COI2-OXO-4-METHYLPENTANOIC ACIDA,C1UMD0.78
COI2-OXO-4-METHYLPENTANOIC ACIDA1DXY0.78
COI2-OXO-4-METHYLPENTANOIC ACIDA,B2HDK0.78
COI2-OXO-4-METHYLPENTANOIC ACIDA1HJF0.78
LMLISOBUTYL MALONIC ACIDA1BFW1
MICALPHA-METHYLISOCITRIC ACIDA1AMI0.7
DMV2,3-DIHYDROXY-VALERIANIC ACIDA,B,C,D1QMG0.7
SLE2-(THIOMETHYLENE)-4-METHYLPENTANOIC ACIDA,B1ATL0.74