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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02308981

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HND(4S)-nonane-1,4-diolA2KAR0.88
HND(4S)-nonane-1,4-diolA2KAS0.88
OC9OCTAN-1-OLA1ZNH0.93
OC9OCTAN-1-OLA2QHV0.93
SDSDODECYL SULFATEA,B,C1H0J0.74
SDSDODECYL SULFATEA3B6L0.74
BDDBROMO-DODECANOLA1N8U0.82
BDDBROMO-DODECANOLA,B1N8V0.82
DE1DECAN-1-OLA1ZNL0.93
GVT3,6,9,12,15,18,21,24,27-nonaoxaheptatriacontan-
1-ol
A,B,C,D,E,F,
G,H,I
2VQG0.71
DEMDECYLOXY-METHANOLA1EK80.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B2R8A0.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B2VQI0.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA2POR0.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H350.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C2F1T0.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,D,E2GR70.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA5PRN0.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B2QTK0.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1PRN0.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1HXT0.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1GFP0.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1NQG0.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA7PRN0.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEX3DWO0.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H390.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B2BIX0.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H3B0.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1O6H0.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1QJP0.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B2ODJ0.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1GFO0.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B3BRY0.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA3BRZ0.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1GFQ0.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA2ZFG0.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1BXW0.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1GFN0.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C2O4V0.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,C1ETH0.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1O6Q0.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEX2F1C0.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1BH30.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1O790.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C3DZM0.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B2SQC0.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA8PRN0.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1O6R0.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA2PRN0.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B3BS00.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1QJ80.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H3A0.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1MPF0.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1NQH0.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1GSZ0.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1NQE0.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1HXX0.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H370.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B1T160.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1GFM0.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B1GZM0.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA3PRN0.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA2OMF0.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1UMP0.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H360.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H3C0.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA3C9L0.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA6PRN0.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1NQF0.73
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA3POR0.73
12H12-HYDROXYDODECANOIC ACIDA,B1M6W0.74
C10HEXAETHYLENE GLYCOL MONODECYL ETHERA,B2BHI0.73
HE4HEPTAN-1-OLA1ZNG0.86
HTOHEPTANE-1,2,3-TRIOLH,L,M2HH10.76
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWT0.76
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXK0.76
HTOHEPTANE-1,2,3-TRIOLH,L,M1RZH0.76
HTOHEPTANE-1,2,3-TRIOLH,L,M2HG30.76
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX30.76
HTOHEPTANE-1,2,3-TRIOLA2PIL0.76
HTOHEPTANE-1,2,3-TRIOLA,B1U190.76
HTOHEPTANE-1,2,3-TRIOLH,L,M2J8D0.76
HTOHEPTANE-1,2,3-TRIOLA,B,C,D3DTU0.76
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX40.76
HTOHEPTANE-1,2,3-TRIOLA,B1HZX0.76
HTOHEPTANE-1,2,3-TRIOLA,B2G870.76
HTOHEPTANE-1,2,3-TRIOLA,B2PED0.76
HTOHEPTANE-1,2,3-TRIOLC,H,L,M3D380.76
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWV0.76
HTOHEPTANE-1,2,3-TRIOLH,L,M1RG50.76
HTOHEPTANE-1,2,3-TRIOLA1KMO0.76
HTOHEPTANE-1,2,3-TRIOLC,H,L,M1L9B0.76
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWU0.76
HTOHEPTANE-1,2,3-TRIOLA1AY20.76
HTOHEPTANE-1,2,3-TRIOLA,B1RP00.76
HTOHEPTANE-1,2,3-TRIOLC,H,L,M2I5N0.76
HTOHEPTANE-1,2,3-TRIOLH,L,M2J8C0.76
HTOHEPTANE-1,2,3-TRIOLH,L,M2HJ60.76
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXJ0.76
HTOHEPTANE-1,2,3-TRIOLL,M1YF60.76
HTOHEPTANE-1,2,3-TRIOLB2BF30.76
HTOHEPTANE-1,2,3-TRIOLA,B2HPY0.76
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX50.76
HTOHEPTANE-1,2,3-TRIOLL,M,X2UXM0.76
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXL0.76
HTOHEPTANE-1,2,3-TRIOLA,B1L9H0.76
HTOHEPTANE-1,2,3-TRIOLA2HI20.76
HTOHEPTANE-1,2,3-TRIOLA,B,D,E,G,H,
J,K
1LGH0.76
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWW0.76
HEZHEXANE-1,6-DIOLA,B1X1V0.82
HEZHEXANE-1,6-DIOLA,B,C,D,E,F1M8T0.82
HEZHEXANE-1,6-DIOLA1J7K0.82
HEZHEXANE-1,6-DIOLA2IOR0.82
HEZHEXANE-1,6-DIOLA,D2NY20.82
HEZHEXANE-1,6-DIOLA2NY00.82
HEZHEXANE-1,6-DIOLA,B,C,D3CDO0.82
HEZHEXANE-1,6-DIOLA,B,C,D2NXZ0.82
HEZHEXANE-1,6-DIOLA,D2NY40.82
HEZHEXANE-1,6-DIOLA1P2V0.82
HEZHEXANE-1,6-DIOLA1NHZ0.82
HEZHEXANE-1,6-DIOLA,C,D,E,F,G2HY60.82
HEZHEXANE-1,6-DIOLA2NXY0.82
HEZHEXANE-1,6-DIOLA,B2VYP0.82
HEZHEXANE-1,6-DIOLA,B1JMT0.82
HEZHEXANE-1,6-DIOLA1U3C0.82
HEZHEXANE-1,6-DIOLA,B,C,D3G360.82
HEZHEXANE-1,6-DIOLA,B,C,D3EDC0.82
HEZHEXANE-1,6-DIOLA1QUH0.82
HEZHEXANE-1,6-DIOLA1IN40.82
HEZHEXANE-1,6-DIOLA,B,C,D1WXW0.82
HEZHEXANE-1,6-DIOLA,B3EV10.82
HEZHEXANE-1,6-DIOLA,B,D2WIW0.82
HEZHEXANE-1,6-DIOLA,B,C,D1IBY0.82
HEZHEXANE-1,6-DIOLA1QUD0.82
1DO1-DODECANOLA,Z2CFZ0.93
PL3HEXADECAN-1-OLA,B,C,D2UUU0.87
PL3HEXADECAN-1-OLA,B,C,D2UUV0.87
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C2W6U0.73
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C2W160.73
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C2W760.73
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C2W780.73
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C,D1WDK0.73
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C2W6T0.73
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B2W750.73
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A1TV50.73
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B2O5P0.73
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C,D1WDL0.73
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C2W770.73
HE2HEXAN-1-OLA1ZNE0.76
ODIOCTANE-1,8-DIOLA2DM51
5HD5-(2-hydroxyethyl)nonane-1,9-diolA3DWB0.82
MHN6-METHYLHEPTAN-1-OLA,B1OYF0.76
CXEPENTAETHYLENE GLYCOL MONODECYL ETHERA,B2ERV0.73
CXEPENTAETHYLENE GLYCOL MONODECYL ETHERX1UYN0.73
CXEPENTAETHYLENE GLYCOL MONODECYL ETHERA1P4T0.73
CXEPENTAETHYLENE GLYCOL MONODECYL ETHERX1UYO0.73
CXEPENTAETHYLENE GLYCOL MONODECYL ETHERA,B3FID0.73
F09NONAN-1-OLA,C2DWD0.93
F09NONAN-1-OLB,C1R3L0.93
F09NONAN-1-OLC,H1R3I0.93
F09NONAN-1-OLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V
1YCE0.93
F09NONAN-1-OLC2DWE0.93
F09NONAN-1-OLA,C2HVJ0.93
F09NONAN-1-OLB,C1R3J0.93
F09NONAN-1-OLC1K4D0.93
F09NONAN-1-OLA,C1K4C0.93
F09NONAN-1-OLC2ATK0.93
F09NONAN-1-OLA,C1ZWI0.93
F09NONAN-1-OLA1ZNK0.93
F09NONAN-1-OLB,C1S5H0.93
F09NONAN-1-OLA,C2HVK0.93
F09NONAN-1-OLA,C2P7T0.93
CE9DODECYL NONA ETHYLENE GLYCOL ETHERA3DM80.71
ARC3,7,11,15-TETRAMETHYL-HEXADECAN-
1-OL
A,B,C1BRR0.73
CE1O-DODECANYL OCTAETHYLENE GLYCOLA,B2B7O0.71
CE1O-DODECANYL OCTAETHYLENE GLYCOLA,B,D,M,N,O,P1L0V0.71
CE1O-DODECANYL OCTAETHYLENE GLYCOLA,B,D,M,N,O,P1KFY0.71
CE1O-DODECANYL OCTAETHYLENE GLYCOLA,B,C,D2W1A0.71
CE1O-DODECANYL OCTAETHYLENE GLYCOLA,B,C,M,N,O,P1KF60.71