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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02327504

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
C10HEXAETHYLENE GLYCOL MONODECYL ETHERA,B2BHI0.7
HNB(2S,5R)-5-pentyltetrahydrofuran-
2-ol
A2K8T0.74
HNB(2S,5R)-5-pentyltetrahydrofuran-
2-ol
A2K8U0.74
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B2R8A0.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B2VQI0.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA2POR0.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H350.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C2F1T0.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,D,E2GR70.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA5PRN0.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B2QTK0.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1PRN0.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1HXT0.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1GFP0.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1NQG0.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA7PRN0.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEX3DWO0.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H390.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B2BIX0.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H3B0.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1O6H0.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1QJP0.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B2ODJ0.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1GFO0.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B3BRY0.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA3BRZ0.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1GFQ0.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA2ZFG0.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1BXW0.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1GFN0.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C2O4V0.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,C1ETH0.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1O6Q0.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEX2F1C0.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1BH30.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1O790.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C3DZM0.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B2SQC0.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA8PRN0.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1O6R0.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA2PRN0.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B3BS00.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1QJ80.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H3A0.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1MPF0.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1NQH0.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1GSZ0.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1NQE0.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1HXX0.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H370.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B1T160.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1GFM0.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B1GZM0.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA3PRN0.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA2OMF0.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1UMP0.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H360.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H3C0.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA3C9L0.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA6PRN0.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1NQF0.7
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA3POR0.7
F09NONAN-1-OLA,C2DWD0.88
F09NONAN-1-OLB,C1R3L0.88
F09NONAN-1-OLC,H1R3I0.88
F09NONAN-1-OLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V
1YCE0.88
F09NONAN-1-OLC2DWE0.88
F09NONAN-1-OLA,C2HVJ0.88
F09NONAN-1-OLB,C1R3J0.88
F09NONAN-1-OLC1K4D0.88
F09NONAN-1-OLA,C1K4C0.88
F09NONAN-1-OLC2ATK0.88
F09NONAN-1-OLA,C1ZWI0.88
F09NONAN-1-OLA1ZNK0.88
F09NONAN-1-OLB,C1S5H0.88
F09NONAN-1-OLA,C2HVK0.88
F09NONAN-1-OLA,C2P7T0.88
MHN6-METHYLHEPTAN-1-OLA,B1OYF0.73
FOCFUCITOLA,B,C,D,E,F1FUI0.71
HND(4S)-nonane-1,4-diolA2KAR0.94
HND(4S)-nonane-1,4-diolA2KAS0.94
BU21,3-BUTANEDIOLA,B1LOL0.72
BU21,3-BUTANEDIOLA,B2RFM0.72
DEMDECYLOXY-METHANOLA1EK80.76
5HD5-(2-hydroxyethyl)nonane-1,9-diolA3DWB0.74
SDSDODECYL SULFATEA,B,C1H0J0.7
SDSDODECYL SULFATEA3B6L0.7
CXLCYCLOHEXANOLA,B1HDX0.71
BFC(R)-3-HYDROXYTETRADECANALA2NPV0.72
ODIOCTANE-1,8-DIOLA2DM50.88
HE2HEXAN-1-OLA1ZNE0.72
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
HXD(3R)-3-HYDROXYDODECANOIC ACIDA2DDH0.73
1DO1-DODECANOLA,Z2CFZ0.88
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFF0.73
FTT3-HYDROXY-TETRADECANOIC ACIDA1QJQ0.73
FTT3-HYDROXY-TETRADECANOIC ACIDA,B2GRX0.73
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFG0.73
FTT3-HYDROXY-TETRADECANOIC ACIDA1QKC0.73
FTT3-HYDROXY-TETRADECANOIC ACIDA1FI10.73
FTT3-HYDROXY-TETRADECANOIC ACIDA,B,C,D3FXI0.73
ARC3,7,11,15-TETRAMETHYL-HEXADECAN-
1-OL
A,B,C1BRR0.7
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
BDDBROMO-DODECANOLA1N8U0.73
BDDBROMO-DODECANOLA,B1N8V0.73
CXEPENTAETHYLENE GLYCOL MONODECYL ETHERA,B2ERV0.7
CXEPENTAETHYLENE GLYCOL MONODECYL ETHERX1UYN0.7
CXEPENTAETHYLENE GLYCOL MONODECYL ETHERA1P4T0.7
CXEPENTAETHYLENE GLYCOL MONODECYL ETHERX1UYO0.7
CXEPENTAETHYLENE GLYCOL MONODECYL ETHERA,B3FID0.7
DE1DECAN-1-OLA1ZNL0.88
PL3HEXADECAN-1-OLA,B,C,D2UUU0.82
PL3HEXADECAN-1-OLA,B,C,D2UUV0.82
HE4HEPTAN-1-OLA1ZNG0.81
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C2W6U0.7
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C2W160.7
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C2W760.7
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C2W780.7
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C,D1WDK0.7
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C2W6T0.7
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B2W750.7
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A1TV50.7
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B2O5P0.7
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C,D1WDL0.7
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C2W770.7
OC9OCTAN-1-OLA1ZNH0.88
OC9OCTAN-1-OLA2QHV0.88