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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00010981

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FOP2-HYDROXY-PROPYL-AMMONIUMA1ID80.8
SEL2-AMINO-1,3-PROPANEDIOLD1D5X0.81
XAP3-AMINOOXY-1-AMINOPROPANEA,B2ON30.79
XAP3-AMINOOXY-1-AMINOPROPANEA,B2OO00.79
4HA4-HYDROXYBUTAN-1-AMINIUMA1S830.83
ETAETHANOLAMINEA,B1KQE0.81
ETAETHANOLAMINEA,B,C,D1W5U0.81
ETAETHANOLAMINEA,B,C,D2IZQ0.81
ETAETHANOLAMINEA,B1JO30.81
ETAETHANOLAMINEA,B1MAG0.81
ETAETHANOLAMINEA,B1NT60.81
ETAETHANOLAMINEA,B1JO40.81
ETAETHANOLAMINEA,B1ALX0.81
ETAETHANOLAMINEA,B1AL40.81
ETAETHANOLAMINEA,B,C,D1BYZ0.81
ETAETHANOLAMINEA,B1NG80.81
ETAETHANOLAMINEA,B,C,D1AV20.81
ETAETHANOLAMINEA1P4T0.81
ETAETHANOLAMINEA,B1NT50.81
ETAETHANOLAMINEA1AII0.81
ETAETHANOLAMINEA,B1NRM0.81
ETAETHANOLAMINEA,B1GRM0.81
ETAETHANOLAMINEA,B1JNO0.81
ETAETHANOLAMINEA,B1MIC0.81
ETAETHANOLAMINEA,B1NRU0.81
ETAETHANOLAMINEA,B3AL10.81
ETAETHANOLAMINEA,B,C,D1GMK0.81
ETAETHANOLAMINEA,B1BDW0.81
ETAETHANOLAMINEA,B1ALZ0.81
ETAETHANOLAMINEA,B,C,D1C4D0.81
VOLL-VALINOLA,B1M240.71