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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02323185

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-diolA2KAR0.76
HND(4S)-nonane-1,4-diolA2KAS0.76
UDTO-DECYL HYDROGEN THIOCARBONATEA,B2QNX0.81
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
DFDDECYL FORMATEA,B2QNY0.84
DFDDECYL FORMATEA,B2QNZ0.84
C10HEXAETHYLENE GLYCOL MONODECYL ETHERA,B2BHI0.72
HE4HEPTAN-1-OLA1ZNG0.73
ODIOCTANE-1,8-DIOLA2DM50.8
DEMDECYLOXY-METHANOLA1EK80.79
PL3HEXADECAN-1-OLA,B,C,D2UUU0.75
PL3HEXADECAN-1-OLA,B,C,D2UUV0.75
F09NONAN-1-OLA,C2DWD0.8
F09NONAN-1-OLB,C1R3L0.8
F09NONAN-1-OLC,H1R3I0.8
F09NONAN-1-OLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V		1YCE0.8
F09NONAN-1-OLC2DWE0.8
F09NONAN-1-OLA,C2HVJ0.8
F09NONAN-1-OLB,C1R3J0.8
F09NONAN-1-OLC1K4D0.8
F09NONAN-1-OLA,C1K4C0.8
F09NONAN-1-OLC2ATK0.8
F09NONAN-1-OLA,C1ZWI0.8
F09NONAN-1-OLA1ZNK0.8
F09NONAN-1-OLB,C1S5H0.8
F09NONAN-1-OLA,C2HVK0.8
F09NONAN-1-OLA,C2P7T0.8
SDSDODECYL SULFATEA,B,C1H0J0.78
SDSDODECYL SULFATEA3B6L0.78
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
DE1DECAN-1-OLA1ZNL0.8
GVT3,6,9,12,15,18,21,24,27-nonaoxaheptatriacontan-
1-ol		A,B,C,D,E,F,
G,H,I		2VQG0.7
OC9OCTAN-1-OLA1ZNH0.8
OC9OCTAN-1-OLA2QHV0.8
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
1DO1-DODECANOLA,Z2CFZ0.8