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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03201723

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FOP2-HYDROXY-PROPYL-AMMONIUMA1ID80.82
SEL2-AMINO-1,3-PROPANEDIOLD1D5X0.72
THOREDUCED THREONINEA1SOC0.76
THOREDUCED THREONINEA2SOC0.76
ETAETHANOLAMINEA,B1KQE0.72
ETAETHANOLAMINEA,B,C,D1W5U0.72
ETAETHANOLAMINEA,B,C,D2IZQ0.72
ETAETHANOLAMINEA,B1JO30.72
ETAETHANOLAMINEA,B1MAG0.72
ETAETHANOLAMINEA,B1NT60.72
ETAETHANOLAMINEA,B1JO40.72
ETAETHANOLAMINEA,B1ALX0.72
ETAETHANOLAMINEA,B1AL40.72
ETAETHANOLAMINEA,B,C,D1BYZ0.72
ETAETHANOLAMINEA,B1NG80.72
ETAETHANOLAMINEA,B,C,D1AV20.72
ETAETHANOLAMINEA1P4T0.72
ETAETHANOLAMINEA,B1NT50.72
ETAETHANOLAMINEA1AII0.72
ETAETHANOLAMINEA,B1NRM0.72
ETAETHANOLAMINEA,B1GRM0.72
ETAETHANOLAMINEA,B1JNO0.72
ETAETHANOLAMINEA,B1MIC0.72
ETAETHANOLAMINEA,B1NRU0.72
ETAETHANOLAMINEA,B3AL10.72
ETAETHANOLAMINEA,B,C,D1GMK0.72
ETAETHANOLAMINEA,B1BDW0.72
ETAETHANOLAMINEA,B1ALZ0.72
ETAETHANOLAMINEA,B,C,D1C4D0.72
4HA4-HYDROXYBUTAN-1-AMINIUMA1S830.79
TSI(2S,3R)-1-AMINO-2-METHYLBUTANE-
2,3-DIOL
A1E9W0.77
TSI(2S,3R)-1-AMINO-2-METHYLBUTANE-
2,3-DIOL
B1OLN0.77
TSI(2S,3R)-1-AMINO-2-METHYLBUTANE-
2,3-DIOL
C2JQ70.77