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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03098862

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
C10HEXAETHYLENE GLYCOL MONODECYL ETHERA,B2BHI0.78
F09NONAN-1-OLA,C2DWD0.87
F09NONAN-1-OLB,C1R3L0.87
F09NONAN-1-OLC,H1R3I0.87
F09NONAN-1-OLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V
1YCE0.87
F09NONAN-1-OLC2DWE0.87
F09NONAN-1-OLA,C2HVJ0.87
F09NONAN-1-OLB,C1R3J0.87
F09NONAN-1-OLC1K4D0.87
F09NONAN-1-OLA,C1K4C0.87
F09NONAN-1-OLC2ATK0.87
F09NONAN-1-OLA,C1ZWI0.87
F09NONAN-1-OLA1ZNK0.87
F09NONAN-1-OLB,C1S5H0.87
F09NONAN-1-OLA,C2HVK0.87
F09NONAN-1-OLA,C2P7T0.87
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B2R8A0.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B2VQI0.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA2POR0.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H350.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C2F1T0.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,D,E2GR70.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA5PRN0.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B2QTK0.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1PRN0.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1HXT0.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1GFP0.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1NQG0.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA7PRN0.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEX3DWO0.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H390.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B2BIX0.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H3B0.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1O6H0.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1QJP0.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B2ODJ0.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1GFO0.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B3BRY0.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA3BRZ0.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1GFQ0.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA2ZFG0.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1BXW0.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1GFN0.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C2O4V0.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,C1ETH0.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1O6Q0.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEX2F1C0.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1BH30.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1O790.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C3DZM0.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B2SQC0.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA8PRN0.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1O6R0.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA2PRN0.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B3BS00.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1QJ80.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H3A0.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1MPF0.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1NQH0.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1GSZ0.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1NQE0.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1HXX0.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H370.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B1T160.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1GFM0.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B1GZM0.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA3PRN0.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA2OMF0.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1UMP0.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H360.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H3C0.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA3C9L0.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA6PRN0.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1NQF0.78
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA3POR0.78
5HD5-(2-hydroxyethyl)nonane-1,9-diolA3DWB0.78
PQE3,6,12,15,18,21,24-HEPTAOXAHEXATRIACONTAN-
1-OL
A2NR90.73
12H12-HYDROXYDODECANOIC ACIDA,B1M6W0.7
GVT3,6,9,12,15,18,21,24,27-nonaoxaheptatriacontan-
1-ol
A,B,C,D,E,F,
G,H,I
2VQG0.76
MHN6-METHYLHEPTAN-1-OLA,B1OYF0.72
HND(4S)-nonane-1,4-diolA2KAR0.82
HND(4S)-nonane-1,4-diolA2KAS0.82
ODIOCTANE-1,8-DIOLA2DM50.93
1DO1-DODECANOLA,Z2CFZ0.87
ARC3,7,11,15-TETRAMETHYL-HEXADECAN-
1-OL
A,B,C1BRR0.78
PL3HEXADECAN-1-OLA,B,C,D2UUU0.94
PL3HEXADECAN-1-OLA,B,C,D2UUV0.94
DEMDECYLOXY-METHANOLA1EK80.75
HEZHEXANE-1,6-DIOLA,B1X1V0.77
HEZHEXANE-1,6-DIOLA,B,C,D,E,F1M8T0.77
HEZHEXANE-1,6-DIOLA1J7K0.77
HEZHEXANE-1,6-DIOLA2IOR0.77
HEZHEXANE-1,6-DIOLA,D2NY20.77
HEZHEXANE-1,6-DIOLA2NY00.77
HEZHEXANE-1,6-DIOLA,B,C,D3CDO0.77
HEZHEXANE-1,6-DIOLA,B,C,D2NXZ0.77
HEZHEXANE-1,6-DIOLA,D2NY40.77
HEZHEXANE-1,6-DIOLA1P2V0.77
HEZHEXANE-1,6-DIOLA1NHZ0.77
HEZHEXANE-1,6-DIOLA,C,D,E,F,G2HY60.77
HEZHEXANE-1,6-DIOLA2NXY0.77
HEZHEXANE-1,6-DIOLA,B2VYP0.77
HEZHEXANE-1,6-DIOLA,B1JMT0.77
HEZHEXANE-1,6-DIOLA1U3C0.77
HEZHEXANE-1,6-DIOLA,B,C,D3G360.77
HEZHEXANE-1,6-DIOLA,B,C,D3EDC0.77
HEZHEXANE-1,6-DIOLA1QUH0.77
HEZHEXANE-1,6-DIOLA1IN40.77
HEZHEXANE-1,6-DIOLA,B,C,D1WXW0.77
HEZHEXANE-1,6-DIOLA,B3EV10.77
HEZHEXANE-1,6-DIOLA,B,D2WIW0.77
HEZHEXANE-1,6-DIOLA,B,C,D1IBY0.77
HEZHEXANE-1,6-DIOLA1QUD0.77
CXEPENTAETHYLENE GLYCOL MONODECYL ETHERA,B2ERV0.78
CXEPENTAETHYLENE GLYCOL MONODECYL ETHERX1UYN0.78
CXEPENTAETHYLENE GLYCOL MONODECYL ETHERA1P4T0.78
CXEPENTAETHYLENE GLYCOL MONODECYL ETHERX1UYO0.78
CXEPENTAETHYLENE GLYCOL MONODECYL ETHERA,B3FID0.78
HE2HEXAN-1-OLA1ZNE0.71
HTOHEPTANE-1,2,3-TRIOLH,L,M2HH10.72
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWT0.72
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXK0.72
HTOHEPTANE-1,2,3-TRIOLH,L,M1RZH0.72
HTOHEPTANE-1,2,3-TRIOLH,L,M2HG30.72
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX30.72
HTOHEPTANE-1,2,3-TRIOLA2PIL0.72
HTOHEPTANE-1,2,3-TRIOLA,B1U190.72
HTOHEPTANE-1,2,3-TRIOLH,L,M2J8D0.72
HTOHEPTANE-1,2,3-TRIOLA,B,C,D3DTU0.72
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX40.72
HTOHEPTANE-1,2,3-TRIOLA,B1HZX0.72
HTOHEPTANE-1,2,3-TRIOLA,B2G870.72
HTOHEPTANE-1,2,3-TRIOLA,B2PED0.72
HTOHEPTANE-1,2,3-TRIOLC,H,L,M3D380.72
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWV0.72
HTOHEPTANE-1,2,3-TRIOLH,L,M1RG50.72
HTOHEPTANE-1,2,3-TRIOLA1KMO0.72
HTOHEPTANE-1,2,3-TRIOLC,H,L,M1L9B0.72
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWU0.72
HTOHEPTANE-1,2,3-TRIOLA1AY20.72
HTOHEPTANE-1,2,3-TRIOLA,B1RP00.72
HTOHEPTANE-1,2,3-TRIOLC,H,L,M2I5N0.72
HTOHEPTANE-1,2,3-TRIOLH,L,M2J8C0.72
HTOHEPTANE-1,2,3-TRIOLH,L,M2HJ60.72
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXJ0.72
HTOHEPTANE-1,2,3-TRIOLL,M1YF60.72
HTOHEPTANE-1,2,3-TRIOLB2BF30.72
HTOHEPTANE-1,2,3-TRIOLA,B2HPY0.72
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX50.72
HTOHEPTANE-1,2,3-TRIOLL,M,X2UXM0.72
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXL0.72
HTOHEPTANE-1,2,3-TRIOLA,B1L9H0.72
HTOHEPTANE-1,2,3-TRIOLA2HI20.72
HTOHEPTANE-1,2,3-TRIOLA,B,D,E,G,H,
J,K
1LGH0.72
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWW0.72
DE1DECAN-1-OLA1ZNL0.87
BDDBROMO-DODECANOLA1N8U0.77
BDDBROMO-DODECANOLA,B1N8V0.77
CE9DODECYL NONA ETHYLENE GLYCOL ETHERA3DM80.76
HE4HEPTAN-1-OLA1ZNG0.81
OC9OCTAN-1-OLA1ZNH0.87
OC9OCTAN-1-OLA2QHV0.87
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C2W6U0.78
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C2W160.78
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C2W760.78
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C2W780.78
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C,D1WDK0.78
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C2W6T0.78
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B2W750.78
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A1TV50.78
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B2O5P0.78
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C,D1WDL0.78
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C2W770.78
CE1O-DODECANYL OCTAETHYLENE GLYCOLA,B2B7O0.76
CE1O-DODECANYL OCTAETHYLENE GLYCOLA,B,D,M,N,O,P1L0V0.76
CE1O-DODECANYL OCTAETHYLENE GLYCOLA,B,D,M,N,O,P1KFY0.76
CE1O-DODECANYL OCTAETHYLENE GLYCOLA,B,C,D2W1A0.76
CE1O-DODECANYL OCTAETHYLENE GLYCOLA,B,C,M,N,O,P1KF60.76