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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00013517

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
42B4-AMINO-2-HYDROXYBUTANOIC ACIDB1O9M0.74
ASLASPARTIC ACID-4-CARBOXYETHYL ESTERA,B2NO50.82
AHHAMINO-HYDROXYHEPTANOIC ACIDA,I3MAT0.72
DTHD-THREONINEA1KRO0.71
DTHD-THREONINEA,B,C,D3BOG0.71
DTHD-THREONINEA,B173D0.71
DTHD-THREONINEA209D0.71
DTHD-THREONINEA316D0.71
DTHD-THREONINEA,B2Q330.71
DTHD-THREONINEA2JUE0.71
DTHD-THREONINEA2D550.71
BHDBETA-HYDROXYASPARTIC ACIDA1WHE0.73
BHDBETA-HYDROXYASPARTIC ACIDA2DDE0.73
BHDBETA-HYDROXYASPARTIC ACIDC,L1XKA0.73
BHDBETA-HYDROXYASPARTIC ACIDA1ERM0.73
BHDBETA-HYDROXYASPARTIC ACIDL,P1AUT0.73
BHDBETA-HYDROXYASPARTIC ACIDA1WHF0.73
BHDBETA-HYDROXYASPARTIC ACIDL1PFX0.73
BHDBETA-HYDROXYASPARTIC ACIDA,B,C,D1XKB0.73
B3S(3R)-3-AMINO-4-HYDROXYBUTANOIC ACIDA2OXK0.71
B3S(3R)-3-AMINO-4-HYDROXYBUTANOIC ACIDA,B,C2OXJ0.71
B3S(3R)-3-AMINO-4-HYDROXYBUTANOIC ACIDA1J8N0.71
TH5O-acetyl-L-threonineA,D,E,F,G,H2VZK0.7
NORCYCLOHEXYL-NORSTATINEE,I1EPN0.73
NORCYCLOHEXYL-NORSTATINEP1CZI0.73
NORCYCLOHEXYL-NORSTATINEA,I1GVT0.73
ASBASPARTIC ACID-4-CARBOXYMETHYL ESTERA,B1QQ60.77
ASBASPARTIC ACID-4-CARBOXYMETHYL ESTERA,B1QQ70.77
AHY(2S,3R)-3-AMINO-2-HYDROXYDECANOIC ACIDA,D2J9A0.74
OXXOXALYL-ASPARTYL ANHYDRIDEA,B1T4C0.7
ALOALLO-THREONINEI,P1HDT0.71
ALOALLO-THREONINEA2JUU0.71
ALOALLO-THREONINEA2VMX0.71