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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00018448

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
THOREDUCED THREONINEA1SOC0.8
THOREDUCED THREONINEA2SOC0.8
4HA4-HYDROXYBUTAN-1-AMINIUMA1S830.73
TSI(2S,3R)-1-AMINO-2-METHYLBUTANE-
2,3-DIOL
A1E9W0.71
TSI(2S,3R)-1-AMINO-2-METHYLBUTANE-
2,3-DIOL
B1OLN0.71
TSI(2S,3R)-1-AMINO-2-METHYLBUTANE-
2,3-DIOL
C2JQ70.71
VOLL-VALINOLA,B1M240.72
SEL2-AMINO-1,3-PROPANEDIOLD1D5X0.76
ETAETHANOLAMINEA,B1KQE0.82
ETAETHANOLAMINEA,B,C,D1W5U0.82
ETAETHANOLAMINEA,B,C,D2IZQ0.82
ETAETHANOLAMINEA,B1JO30.82
ETAETHANOLAMINEA,B1MAG0.82
ETAETHANOLAMINEA,B1NT60.82
ETAETHANOLAMINEA,B1JO40.82
ETAETHANOLAMINEA,B1ALX0.82
ETAETHANOLAMINEA,B1AL40.82
ETAETHANOLAMINEA,B,C,D1BYZ0.82
ETAETHANOLAMINEA,B1NG80.82
ETAETHANOLAMINEA,B,C,D1AV20.82
ETAETHANOLAMINEA1P4T0.82
ETAETHANOLAMINEA,B1NT50.82
ETAETHANOLAMINEA1AII0.82
ETAETHANOLAMINEA,B1NRM0.82
ETAETHANOLAMINEA,B1GRM0.82
ETAETHANOLAMINEA,B1JNO0.82
ETAETHANOLAMINEA,B1MIC0.82
ETAETHANOLAMINEA,B1NRU0.82
ETAETHANOLAMINEA,B3AL10.82
ETAETHANOLAMINEA,B,C,D1GMK0.82
ETAETHANOLAMINEA,B1BDW0.82
ETAETHANOLAMINEA,B1ALZ0.82
ETAETHANOLAMINEA,B,C,D1C4D0.82
FOP2-HYDROXY-PROPYL-AMMONIUMA1ID81
PY0(1S,2S)-1-amino-1,2-dihydroxypropan-
1-olate
A,B,C,D2W930.74