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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03171281

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1DO1-DODECANOLA,Z2CFZ0.7
HND(4S)-nonane-1,4-diolA2KAR0.71
HND(4S)-nonane-1,4-diolA2KAS0.71
ARC3,7,11,15-TETRAMETHYL-HEXADECAN-
1-OL
A,B,C1BRR0.81
5HD5-(2-hydroxyethyl)nonane-1,9-diolA3DWB0.85
DE1DECAN-1-OLA1ZNL0.7
YLL(1R,2S,3S,4S,5R,6R)-6-(HYDROXYMETHYL)CYCLOHEXANE-
1,2,3,4,5-PENTOL
A,B2JAL0.71
OC9OCTAN-1-OLA1ZNH0.7
OC9OCTAN-1-OLA2QHV0.7
F09NONAN-1-OLA,C2DWD0.7
F09NONAN-1-OLB,C1R3L0.7
F09NONAN-1-OLC,H1R3I0.7
F09NONAN-1-OLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V
1YCE0.7
F09NONAN-1-OLC2DWE0.7
F09NONAN-1-OLA,C2HVJ0.7
F09NONAN-1-OLB,C1R3J0.7
F09NONAN-1-OLC1K4D0.7
F09NONAN-1-OLA,C1K4C0.7
F09NONAN-1-OLC2ATK0.7
F09NONAN-1-OLA,C1ZWI0.7
F09NONAN-1-OLA1ZNK0.7
F09NONAN-1-OLB,C1S5H0.7
F09NONAN-1-OLA,C2HVK0.7
F09NONAN-1-OLA,C2P7T0.7
MHN6-METHYLHEPTAN-1-OLA,B1OYF0.8
HFPALPHA-HYDROXYFARNESYLPHOSPHONIC ACIDA,B,P1QBQ0.71
HFPALPHA-HYDROXYFARNESYLPHOSPHONIC ACIDB1N9A0.71
HFPALPHA-HYDROXYFARNESYLPHOSPHONIC ACIDA,B1N940.71
HFPALPHA-HYDROXYFARNESYLPHOSPHONIC ACIDB1N950.71
HFPALPHA-HYDROXYFARNESYLPHOSPHONIC ACIDB1NI10.71
HFPALPHA-HYDROXYFARNESYLPHOSPHONIC ACIDB1NL40.71
ODIOCTANE-1,8-DIOLA2DM50.7