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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00018451

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-PROPANEDIOLD1D5X0.77
TSI(2S,3R)-1-AMINO-2-METHYLBUTANE-
2,3-DIOL
A1E9W0.82
TSI(2S,3R)-1-AMINO-2-METHYLBUTANE-
2,3-DIOL
B1OLN0.82
TSI(2S,3R)-1-AMINO-2-METHYLBUTANE-
2,3-DIOL
C2JQ70.82
PY0(1S,2S)-1-amino-1,2-dihydroxypropan-
1-olate
A,B,C,D2W930.8
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
GPEL-ALPHA-GLYCEROPHOSPHORYLETHANOLAMINEA1A8B0.76