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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00006835

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CA1ETHYL PROPIONATEB2B0F0.81
EEEETHYL ACETATEA2QFL0.81
EEEETHYL ACETATEA,B,C1QFI0.81
EEEETHYL ACETATEA,B,C1YAH0.81
EEEETHYL ACETATEA,B,C1A7Y0.81
4PAPROPYL ACETATEA1TQH0.85
4PAPROPYL ACETATEA2O7R0.85
SMB2-METHYLBUTANOIC ACIDA,B,C1YA80.71
SMB2-METHYLBUTANOIC ACIDA1UKA0.71
IBU2-methylpropyl hydrogen carbonateA,B2K1Q0.7
IVAISOVALERIC ACIDA1YOO0.71
IVAISOVALERIC ACIDE,I4ER20.71
IVAISOVALERIC ACIDE,I1APU0.71
IVAISOVALERIC ACIDE,I1APW0.71
IVAISOVALERIC ACIDE,I1APT0.71
IVAISOVALERIC ACIDA2D5Y0.71
IVAISOVALERIC ACIDA,I1GA40.71
IVAISOVALERIC ACIDE,I1PPK0.71
IVAISOVALERIC ACIDA,B,C,D1QS80.71
IVAISOVALERIC ACIDA,B,C1NLU0.71
IVAISOVALERIC ACIDA,B2RMP0.71
IVAISOVALERIC ACIDA,B1KE10.71
IVAISOVALERIC ACIDE,I1PPL0.71
IVAISOVALERIC ACIDA,B,C,D,I,J1LYB0.71
IVAISOVALERIC ACIDA2D640.71
IVAISOVALERIC ACIDI2ER00.71
IVAISOVALERIC ACIDI1QRP0.71
IVAISOVALERIC ACIDE,I1APV0.71
IVAISOVALERIC ACIDA,B1KDZ0.71
IVAISOVALERIC ACIDA1UK90.71
IVAISOVALERIC ACIDA,I1WKR0.71
IVAISOVALERIC ACIDA,I3FNT0.71
IVAISOVALERIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
3FV30.71
IVAISOVALERIC ACIDI1PSO0.71
IVAISOVALERIC ACIDI6APR0.71
IVAISOVALERIC ACIDA2D630.71