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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03168935

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MTLD-MANNITOLA,B1ZZU0.73
MTLD-MANNITOLA,B1ZZQ0.73
MTLD-MANNITOLA,B1M2W0.73
MTLD-MANNITOLA2VFU0.73
HND(4S)-nonane-1,4-diolA2KAR0.88
HND(4S)-nonane-1,4-diolA2KAS0.88
CE9DODECYL NONA ETHYLENE GLYCOL ETHERA3DM80.73
PL3HEXADECAN-1-OLA,B,C,D2UUU0.77
PL3HEXADECAN-1-OLA,B,C,D2UUV0.77
CE1O-DODECANYL OCTAETHYLENE GLYCOLA,B2B7O0.73
CE1O-DODECANYL OCTAETHYLENE GLYCOLA,B,D,M,N,O,P1L0V0.73
CE1O-DODECANYL OCTAETHYLENE GLYCOLA,B,D,M,N,O,P1KFY0.73
CE1O-DODECANYL OCTAETHYLENE GLYCOLA,B,C,D2W1A0.73
CE1O-DODECANYL OCTAETHYLENE GLYCOLA,B,C,M,N,O,P1KF60.73
FOCFUCITOLA,B,C,D,E,F1FUI0.71
HOC(2S)-2-HYDROXYOCTANOIC ACIDA2A850.71
5HD5-(2-hydroxyethyl)nonane-1,9-diolA3DWB0.74
DEMDECYLOXY-METHANOLA1EK80.71
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B2R8A0.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B2VQI0.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA2POR0.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H350.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C2F1T0.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,D,E2GR70.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA5PRN0.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B2QTK0.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1PRN0.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1HXT0.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1GFP0.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1NQG0.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA7PRN0.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEX3DWO0.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H390.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B2BIX0.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H3B0.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1O6H0.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1QJP0.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B2ODJ0.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1GFO0.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B3BRY0.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA3BRZ0.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1GFQ0.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA2ZFG0.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1BXW0.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1GFN0.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C2O4V0.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,C1ETH0.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1O6Q0.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEX2F1C0.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1BH30.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1O790.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C3DZM0.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B2SQC0.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA8PRN0.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1O6R0.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA2PRN0.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B3BS00.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1QJ80.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H3A0.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1MPF0.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1NQH0.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1GSZ0.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1NQE0.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1HXX0.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H370.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B1T160.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1GFM0.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B1GZM0.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA3PRN0.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA2OMF0.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1UMP0.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H360.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H3C0.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA3C9L0.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA6PRN0.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1NQF0.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA3POR0.74
F09NONAN-1-OLA,C2DWD0.82
F09NONAN-1-OLB,C1R3L0.82
F09NONAN-1-OLC,H1R3I0.82
F09NONAN-1-OLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V
1YCE0.82
F09NONAN-1-OLC2DWE0.82
F09NONAN-1-OLA,C2HVJ0.82
F09NONAN-1-OLB,C1R3J0.82
F09NONAN-1-OLC1K4D0.82
F09NONAN-1-OLA,C1K4C0.82
F09NONAN-1-OLC2ATK0.82
F09NONAN-1-OLA,C1ZWI0.82
F09NONAN-1-OLA1ZNK0.82
F09NONAN-1-OLB,C1S5H0.82
F09NONAN-1-OLA,C2HVK0.82
F09NONAN-1-OLA,C2P7T0.82
CXLCYCLOHEXANOLA,B1HDX0.71
C10HEXAETHYLENE GLYCOL MONODECYL ETHERA,B2BHI0.74
ODIOCTANE-1,8-DIOLA2DM50.88
HTOHEPTANE-1,2,3-TRIOLH,L,M2HH10.88
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWT0.88
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXK0.88
HTOHEPTANE-1,2,3-TRIOLH,L,M1RZH0.88
HTOHEPTANE-1,2,3-TRIOLH,L,M2HG30.88
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX30.88
HTOHEPTANE-1,2,3-TRIOLA2PIL0.88
HTOHEPTANE-1,2,3-TRIOLA,B1U190.88
HTOHEPTANE-1,2,3-TRIOLH,L,M2J8D0.88
HTOHEPTANE-1,2,3-TRIOLA,B,C,D3DTU0.88
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX40.88
HTOHEPTANE-1,2,3-TRIOLA,B1HZX0.88
HTOHEPTANE-1,2,3-TRIOLA,B2G870.88
HTOHEPTANE-1,2,3-TRIOLA,B2PED0.88
HTOHEPTANE-1,2,3-TRIOLC,H,L,M3D380.88
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWV0.88
HTOHEPTANE-1,2,3-TRIOLH,L,M1RG50.88
HTOHEPTANE-1,2,3-TRIOLA1KMO0.88
HTOHEPTANE-1,2,3-TRIOLC,H,L,M1L9B0.88
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWU0.88
HTOHEPTANE-1,2,3-TRIOLA1AY20.88
HTOHEPTANE-1,2,3-TRIOLA,B1RP00.88
HTOHEPTANE-1,2,3-TRIOLC,H,L,M2I5N0.88
HTOHEPTANE-1,2,3-TRIOLH,L,M2J8C0.88
HTOHEPTANE-1,2,3-TRIOLH,L,M2HJ60.88
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXJ0.88
HTOHEPTANE-1,2,3-TRIOLL,M1YF60.88
HTOHEPTANE-1,2,3-TRIOLB2BF30.88
HTOHEPTANE-1,2,3-TRIOLA,B2HPY0.88
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX50.88
HTOHEPTANE-1,2,3-TRIOLL,M,X2UXM0.88
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXL0.88
HTOHEPTANE-1,2,3-TRIOLA,B1L9H0.88
HTOHEPTANE-1,2,3-TRIOLA2HI20.88
HTOHEPTANE-1,2,3-TRIOLA,B,D,E,G,H,
J,K
1LGH0.88
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWW0.88
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C2W6U0.74
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C2W160.74
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C2W760.74
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C2W780.74
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C,D1WDK0.74
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C2W6T0.74
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B2W750.74
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A1TV50.74
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B2O5P0.74
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C,D1WDL0.74
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C2W770.74
OC9OCTAN-1-OLA1ZNH0.82
OC9OCTAN-1-OLA2QHV0.82
HEZHEXANE-1,6-DIOLA,B1X1V0.72
HEZHEXANE-1,6-DIOLA,B,C,D,E,F1M8T0.72
HEZHEXANE-1,6-DIOLA1J7K0.72
HEZHEXANE-1,6-DIOLA2IOR0.72
HEZHEXANE-1,6-DIOLA,D2NY20.72
HEZHEXANE-1,6-DIOLA2NY00.72
HEZHEXANE-1,6-DIOLA,B,C,D3CDO0.72
HEZHEXANE-1,6-DIOLA,B,C,D2NXZ0.72
HEZHEXANE-1,6-DIOLA,D2NY40.72
HEZHEXANE-1,6-DIOLA1P2V0.72
HEZHEXANE-1,6-DIOLA1NHZ0.72
HEZHEXANE-1,6-DIOLA,C,D,E,F,G2HY60.72
HEZHEXANE-1,6-DIOLA2NXY0.72
HEZHEXANE-1,6-DIOLA,B2VYP0.72
HEZHEXANE-1,6-DIOLA,B1JMT0.72
HEZHEXANE-1,6-DIOLA1U3C0.72
HEZHEXANE-1,6-DIOLA,B,C,D3G360.72
HEZHEXANE-1,6-DIOLA,B,C,D3EDC0.72
HEZHEXANE-1,6-DIOLA1QUH0.72
HEZHEXANE-1,6-DIOLA1IN40.72
HEZHEXANE-1,6-DIOLA,B,C,D1WXW0.72
HEZHEXANE-1,6-DIOLA,B3EV10.72
HEZHEXANE-1,6-DIOLA,B,D2WIW0.72
HEZHEXANE-1,6-DIOLA,B,C,D1IBY0.72
HEZHEXANE-1,6-DIOLA1QUD0.72
RNTL-RHAMNITOLA,B,C,D1DE50.71
DE1DECAN-1-OLA1ZNL0.82
SORD-SORBITOLA1FQA0.73
SORD-SORBITOLA,B,C,D3XIM0.73
SORD-SORBITOLA2VFT0.73
SORD-SORBITOLA,B,C,D5XIM0.73
SORD-SORBITOLA3BRF0.73
SORD-SORBITOLA1XIH0.73
SORD-SORBITOLA2DXR0.73
SORD-SORBITOLA1D8C0.73
SORD-SORBITOLA,B,C,D2XIN0.73
SORD-SORBITOLA1FQB0.73
SORD-SORBITOLA,B4XIA0.73
BDDBROMO-DODECANOLA1N8U0.73
BDDBROMO-DODECANOLA,B1N8V0.73
CXEPENTAETHYLENE GLYCOL MONODECYL ETHERA,B2ERV0.74
CXEPENTAETHYLENE GLYCOL MONODECYL ETHERX1UYN0.74
CXEPENTAETHYLENE GLYCOL MONODECYL ETHERA1P4T0.74
CXEPENTAETHYLENE GLYCOL MONODECYL ETHERX1UYO0.74
CXEPENTAETHYLENE GLYCOL MONODECYL ETHERA,B3FID0.74
GVT3,6,9,12,15,18,21,24,27-nonaoxaheptatriacontan-
1-ol
A,B,C,D,E,F,
G,H,I
2VQG0.73
HE4HEPTAN-1-OLA1ZNG0.76
1DO1-DODECANOLA,Z2CFZ0.82