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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00010549

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HEZHEXANE-1,6-DIOLA,B1X1V0.88
HEZHEXANE-1,6-DIOLA,B,C,D,E,F1M8T0.88
HEZHEXANE-1,6-DIOLA1J7K0.88
HEZHEXANE-1,6-DIOLA2IOR0.88
HEZHEXANE-1,6-DIOLA,D2NY20.88
HEZHEXANE-1,6-DIOLA2NY00.88
HEZHEXANE-1,6-DIOLA,B,C,D3CDO0.88
HEZHEXANE-1,6-DIOLA,B,C,D2NXZ0.88
HEZHEXANE-1,6-DIOLA,D2NY40.88
HEZHEXANE-1,6-DIOLA1P2V0.88
HEZHEXANE-1,6-DIOLA1NHZ0.88
HEZHEXANE-1,6-DIOLA,C,D,E,F,G2HY60.88
HEZHEXANE-1,6-DIOLA2NXY0.88
HEZHEXANE-1,6-DIOLA,B2VYP0.88
HEZHEXANE-1,6-DIOLA,B1JMT0.88
HEZHEXANE-1,6-DIOLA1U3C0.88
HEZHEXANE-1,6-DIOLA,B,C,D3G360.88
HEZHEXANE-1,6-DIOLA,B,C,D3EDC0.88
HEZHEXANE-1,6-DIOLA1QUH0.88
HEZHEXANE-1,6-DIOLA1IN40.88
HEZHEXANE-1,6-DIOLA,B,C,D1WXW0.88
HEZHEXANE-1,6-DIOLA,B3EV10.88
HEZHEXANE-1,6-DIOLA,B,D2WIW0.88
HEZHEXANE-1,6-DIOLA,B,C,D1IBY0.88
HEZHEXANE-1,6-DIOLA1QUD0.88
1DO1-DODECANOLA,Z2CFZ0.86
HE4HEPTAN-1-OLA1ZNG0.93
HND(4S)-nonane-1,4-diolA2KAR0.81
HND(4S)-nonane-1,4-diolA2KAS0.81
PE9PENTAN-1-OLA1ZND0.74
BHL6-BROMOHEXAN-1-OLA,B,C1XVB0.71
DE1DECAN-1-OLA1ZNL0.86
BDDBROMO-DODECANOLA1N8U0.76
BDDBROMO-DODECANOLA,B1N8V0.76
OC9OCTAN-1-OLA1ZNH0.86
OC9OCTAN-1-OLA2QHV0.86
HTOHEPTANE-1,2,3-TRIOLH,L,M2HH10.81
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWT0.81
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXK0.81
HTOHEPTANE-1,2,3-TRIOLH,L,M1RZH0.81
HTOHEPTANE-1,2,3-TRIOLH,L,M2HG30.81
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX30.81
HTOHEPTANE-1,2,3-TRIOLA2PIL0.81
HTOHEPTANE-1,2,3-TRIOLA,B1U190.81
HTOHEPTANE-1,2,3-TRIOLH,L,M2J8D0.81
HTOHEPTANE-1,2,3-TRIOLA,B,C,D3DTU0.81
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX40.81
HTOHEPTANE-1,2,3-TRIOLA,B1HZX0.81
HTOHEPTANE-1,2,3-TRIOLA,B2G870.81
HTOHEPTANE-1,2,3-TRIOLA,B2PED0.81
HTOHEPTANE-1,2,3-TRIOLC,H,L,M3D380.81
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWV0.81
HTOHEPTANE-1,2,3-TRIOLH,L,M1RG50.81
HTOHEPTANE-1,2,3-TRIOLA1KMO0.81
HTOHEPTANE-1,2,3-TRIOLC,H,L,M1L9B0.81
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWU0.81
HTOHEPTANE-1,2,3-TRIOLA1AY20.81
HTOHEPTANE-1,2,3-TRIOLA,B1RP00.81
HTOHEPTANE-1,2,3-TRIOLC,H,L,M2I5N0.81
HTOHEPTANE-1,2,3-TRIOLH,L,M2J8C0.81
HTOHEPTANE-1,2,3-TRIOLH,L,M2HJ60.81
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXJ0.81
HTOHEPTANE-1,2,3-TRIOLL,M1YF60.81
HTOHEPTANE-1,2,3-TRIOLB2BF30.81
HTOHEPTANE-1,2,3-TRIOLA,B2HPY0.81
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX50.81
HTOHEPTANE-1,2,3-TRIOLL,M,X2UXM0.81
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXL0.81
HTOHEPTANE-1,2,3-TRIOLA,B1L9H0.81
HTOHEPTANE-1,2,3-TRIOLA2HI20.81
HTOHEPTANE-1,2,3-TRIOLA,B,D,E,G,H,
J,K
1LGH0.81
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWW0.81
PL3HEXADECAN-1-OLA,B,C,D2UUU0.81
PL3HEXADECAN-1-OLA,B,C,D2UUV0.81
F09NONAN-1-OLA,C2DWD0.86
F09NONAN-1-OLB,C1R3L0.86
F09NONAN-1-OLC,H1R3I0.86
F09NONAN-1-OLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V
1YCE0.86
F09NONAN-1-OLC2DWE0.86
F09NONAN-1-OLA,C2HVJ0.86
F09NONAN-1-OLB,C1R3J0.86
F09NONAN-1-OLC1K4D0.86
F09NONAN-1-OLA,C1K4C0.86
F09NONAN-1-OLC2ATK0.86
F09NONAN-1-OLA,C1ZWI0.86
F09NONAN-1-OLA1ZNK0.86
F09NONAN-1-OLB,C1S5H0.86
F09NONAN-1-OLA,C2HVK0.86
F09NONAN-1-OLA,C2P7T0.86
ODIOCTANE-1,8-DIOLA2DM50.93
BU11,4-BUTANEDIOLA2BAB0.7
BU11,4-BUTANEDIOLA,B2HW80.7
BU11,4-BUTANEDIOLA2B9Y0.7
BU11,4-BUTANEDIOLA1M8R0.7
BU11,4-BUTANEDIOLA,B,C3FNK0.7
BU11,4-BUTANEDIOLA,B1TZP0.7
BU11,4-BUTANEDIOLA1M8S0.7
BU11,4-BUTANEDIOLA1VIO0.7
BU11,4-BUTANEDIOLA2W620.7
BU11,4-BUTANEDIOLA2RH10.7
BU11,4-BUTANEDIOLA,B,C3CED0.7
BU11,4-BUTANEDIOLA1BK90.7
BU11,4-BUTANEDIOLA1X9D0.7
5HD5-(2-hydroxyethyl)nonane-1,9-diolA3DWB0.76
DEMDECYLOXY-METHANOLA1EK80.74
CXLCYCLOHEXANOLA,B1HDX0.73
HE2HEXAN-1-OLA1ZNE0.81
MHN6-METHYLHEPTAN-1-OLA,B1OYF0.76