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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01810078

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HE4HEPTAN-1-OLA1ZNG0.84
MHN6-METHYLHEPTAN-1-OLA,B1OYF0.75
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B2R8A0.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B2VQI0.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA2POR0.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H350.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C2F1T0.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,D,E2GR70.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA5PRN0.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B2QTK0.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1PRN0.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1HXT0.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1GFP0.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1NQG0.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA7PRN0.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEX3DWO0.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H390.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B2BIX0.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H3B0.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1O6H0.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1QJP0.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B2ODJ0.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1GFO0.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B3BRY0.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA3BRZ0.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1GFQ0.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA2ZFG0.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1BXW0.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1GFN0.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C2O4V0.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,C1ETH0.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1O6Q0.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEX2F1C0.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1BH30.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1O790.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C3DZM0.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B2SQC0.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA8PRN0.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1O6R0.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA2PRN0.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B3BS00.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1QJ80.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H3A0.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1MPF0.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1NQH0.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1GSZ0.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1NQE0.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1HXX0.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H370.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B1T160.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1GFM0.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B1GZM0.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA3PRN0.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA2OMF0.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1UMP0.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H360.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H3C0.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA3C9L0.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA6PRN0.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1NQF0.72
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA3POR0.72
BFC(R)-3-HYDROXYTETRADECANALA2NPV0.74
ODIOCTANE-1,8-DIOLA2DM50.9
C10HEXAETHYLENE GLYCOL MONODECYL ETHERA,B2BHI0.72
HE2HEXAN-1-OLA1ZNE0.74
PL3HEXADECAN-1-OLA,B,C,D2UUU0.85
PL3HEXADECAN-1-OLA,B,C,D2UUV0.85
F09NONAN-1-OLA,C2DWD0.9
F09NONAN-1-OLB,C1R3L0.9
F09NONAN-1-OLC,H1R3I0.9
F09NONAN-1-OLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V
1YCE0.9
F09NONAN-1-OLC2DWE0.9
F09NONAN-1-OLA,C2HVJ0.9
F09NONAN-1-OLB,C1R3J0.9
F09NONAN-1-OLC1K4D0.9
F09NONAN-1-OLA,C1K4C0.9
F09NONAN-1-OLC2ATK0.9
F09NONAN-1-OLA,C1ZWI0.9
F09NONAN-1-OLA1ZNK0.9
F09NONAN-1-OLB,C1S5H0.9
F09NONAN-1-OLA,C2HVK0.9
F09NONAN-1-OLA,C2P7T0.9
SDSDODECYL SULFATEA,B,C1H0J0.72
SDSDODECYL SULFATEA3B6L0.72
CE9DODECYL NONA ETHYLENE GLYCOL ETHERA3DM80.7
CE1O-DODECANYL OCTAETHYLENE GLYCOLA,B2B7O0.7
CE1O-DODECANYL OCTAETHYLENE GLYCOLA,B,D,M,N,O,P1L0V0.7
CE1O-DODECANYL OCTAETHYLENE GLYCOLA,B,D,M,N,O,P1KFY0.7
CE1O-DODECANYL OCTAETHYLENE GLYCOLA,B,C,D2W1A0.7
CE1O-DODECANYL OCTAETHYLENE GLYCOLA,B,C,M,N,O,P1KF60.7
CXEPENTAETHYLENE GLYCOL MONODECYL ETHERA,B2ERV0.72
CXEPENTAETHYLENE GLYCOL MONODECYL ETHERX1UYN0.72
CXEPENTAETHYLENE GLYCOL MONODECYL ETHERA1P4T0.72
CXEPENTAETHYLENE GLYCOL MONODECYL ETHERX1UYO0.72
CXEPENTAETHYLENE GLYCOL MONODECYL ETHERA,B3FID0.72
HND(4S)-nonane-1,4-diolA2KAR0.97
HND(4S)-nonane-1,4-diolA2KAS0.97
ARC3,7,11,15-TETRAMETHYL-HEXADECAN-
1-OL
A,B,C1BRR0.72
5HD5-(2-hydroxyethyl)nonane-1,9-diolA3DWB0.76
DE1DECAN-1-OLA1ZNL0.9
CXLCYCLOHEXANOLA,B1HDX0.73
BDDBROMO-DODECANOLA1N8U0.75
BDDBROMO-DODECANOLA,B1N8V0.75
GVT3,6,9,12,15,18,21,24,27-nonaoxaheptatriacontan-
1-ol
A,B,C,D,E,F,
G,H,I
2VQG0.7
HTOHEPTANE-1,2,3-TRIOLH,L,M2HH10.85
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWT0.85
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXK0.85
HTOHEPTANE-1,2,3-TRIOLH,L,M1RZH0.85
HTOHEPTANE-1,2,3-TRIOLH,L,M2HG30.85
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX30.85
HTOHEPTANE-1,2,3-TRIOLA2PIL0.85
HTOHEPTANE-1,2,3-TRIOLA,B1U190.85
HTOHEPTANE-1,2,3-TRIOLH,L,M2J8D0.85
HTOHEPTANE-1,2,3-TRIOLA,B,C,D3DTU0.85
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX40.85
HTOHEPTANE-1,2,3-TRIOLA,B1HZX0.85
HTOHEPTANE-1,2,3-TRIOLA,B2G870.85
HTOHEPTANE-1,2,3-TRIOLA,B2PED0.85
HTOHEPTANE-1,2,3-TRIOLC,H,L,M3D380.85
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWV0.85
HTOHEPTANE-1,2,3-TRIOLH,L,M1RG50.85
HTOHEPTANE-1,2,3-TRIOLA1KMO0.85
HTOHEPTANE-1,2,3-TRIOLC,H,L,M1L9B0.85
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWU0.85
HTOHEPTANE-1,2,3-TRIOLA1AY20.85
HTOHEPTANE-1,2,3-TRIOLA,B1RP00.85
HTOHEPTANE-1,2,3-TRIOLC,H,L,M2I5N0.85
HTOHEPTANE-1,2,3-TRIOLH,L,M2J8C0.85
HTOHEPTANE-1,2,3-TRIOLH,L,M2HJ60.85
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXJ0.85
HTOHEPTANE-1,2,3-TRIOLL,M1YF60.85
HTOHEPTANE-1,2,3-TRIOLB2BF30.85
HTOHEPTANE-1,2,3-TRIOLA,B2HPY0.85
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX50.85
HTOHEPTANE-1,2,3-TRIOLL,M,X2UXM0.85
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXL0.85
HTOHEPTANE-1,2,3-TRIOLA,B1L9H0.85
HTOHEPTANE-1,2,3-TRIOLA2HI20.85
HTOHEPTANE-1,2,3-TRIOLA,B,D,E,G,H,
J,K
1LGH0.85
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWW0.85
OC9OCTAN-1-OLA1ZNH0.9
OC9OCTAN-1-OLA2QHV0.9
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C2W6U0.72
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C2W160.72
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C2W760.72
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C2W780.72
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C,D1WDK0.72
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C2W6T0.72
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B2W750.72
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A1TV50.72
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B2O5P0.72
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C,D1WDL0.72
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C2W770.72
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFF0.7
FTT3-HYDROXY-TETRADECANOIC ACIDA1QJQ0.7
FTT3-HYDROXY-TETRADECANOIC ACIDA,B2GRX0.7
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFG0.7
FTT3-HYDROXY-TETRADECANOIC ACIDA1QKC0.7
FTT3-HYDROXY-TETRADECANOIC ACIDA1FI10.7
FTT3-HYDROXY-TETRADECANOIC ACIDA,B,C,D3FXI0.7
1DO1-DODECANOLA,Z2CFZ0.9
HXD(3R)-3-HYDROXYDODECANOIC ACIDA2DDH0.7
DEMDECYLOXY-METHANOLA1EK80.78
HEZHEXANE-1,6-DIOLA,B1X1V0.74
HEZHEXANE-1,6-DIOLA,B,C,D,E,F1M8T0.74
HEZHEXANE-1,6-DIOLA1J7K0.74
HEZHEXANE-1,6-DIOLA2IOR0.74
HEZHEXANE-1,6-DIOLA,D2NY20.74
HEZHEXANE-1,6-DIOLA2NY00.74
HEZHEXANE-1,6-DIOLA,B,C,D3CDO0.74
HEZHEXANE-1,6-DIOLA,B,C,D2NXZ0.74
HEZHEXANE-1,6-DIOLA,D2NY40.74
HEZHEXANE-1,6-DIOLA1P2V0.74
HEZHEXANE-1,6-DIOLA1NHZ0.74
HEZHEXANE-1,6-DIOLA,C,D,E,F,G2HY60.74
HEZHEXANE-1,6-DIOLA2NXY0.74
HEZHEXANE-1,6-DIOLA,B2VYP0.74
HEZHEXANE-1,6-DIOLA,B1JMT0.74
HEZHEXANE-1,6-DIOLA1U3C0.74
HEZHEXANE-1,6-DIOLA,B,C,D3G360.74
HEZHEXANE-1,6-DIOLA,B,C,D3EDC0.74
HEZHEXANE-1,6-DIOLA1QUH0.74
HEZHEXANE-1,6-DIOLA1IN40.74
HEZHEXANE-1,6-DIOLA,B,C,D1WXW0.74
HEZHEXANE-1,6-DIOLA,B3EV10.74
HEZHEXANE-1,6-DIOLA,B,D2WIW0.74
HEZHEXANE-1,6-DIOLA,B,C,D1IBY0.74
HEZHEXANE-1,6-DIOLA1QUD0.74
HNB(2S,5R)-5-pentyltetrahydrofuran-
2-ol
A2K8T0.76
HNB(2S,5R)-5-pentyltetrahydrofuran-
2-ol
A2K8U0.76