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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02857472

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
7PE2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOLA2DBP0.73
7PE2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOLA2ZMC0.73
7PE2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOLA2OVJ0.73
7PE2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOLA3CEK0.73
7PE2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOLA3GFW0.73
7PE2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOLA,B,C,D2OO10.73
7PE2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOLA,B2Q8Z0.73
7PE2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOLA,B,D,E2PYE0.73
7PE2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOLA2ZMD0.73
POG(20S)-2,5,8,11,14,17-HEXAMETHYL-
3,6,9,12,15,18-HEXAOXAHENICOSANE-
1,20-DIOL
A1WOZ0.73
CXEPENTAETHYLENE GLYCOL MONODECYL ETHERA,B2ERV0.79
CXEPENTAETHYLENE GLYCOL MONODECYL ETHERX1UYN0.79
CXEPENTAETHYLENE GLYCOL MONODECYL ETHERA1P4T0.79
CXEPENTAETHYLENE GLYCOL MONODECYL ETHERX1UYO0.79
CXEPENTAETHYLENE GLYCOL MONODECYL ETHERA,B3FID0.79
ETE2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHANOL
A,B2O950.73
ETE2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHANOL
A,B2VRO0.73
ETE2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHANOL
A1MXG0.73
ETE2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHANOL
A,B2D1G0.73
ETE2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHANOL
A,B,C,D,E,F,
G,H
2G500.73
ETE2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHANOL
A3CX40.73
ETE2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHANOL
A,B3B880.73
PQE3,6,12,15,18,21,24-HEPTAOXAHEXATRIACONTAN-
1-OL
A2NR90.73
AE43,6,9,12,15-PENTAOXAHEPTADECAN-
1-OL
A,B2C2N0.73
CE1O-DODECANYL OCTAETHYLENE GLYCOLA,B2B7O0.77
CE1O-DODECANYL OCTAETHYLENE GLYCOLA,B,D,M,N,O,P1L0V0.77
CE1O-DODECANYL OCTAETHYLENE GLYCOLA,B,D,M,N,O,P1KFY0.77
CE1O-DODECANYL OCTAETHYLENE GLYCOLA,B,C,D2W1A0.77
CE1O-DODECANYL OCTAETHYLENE GLYCOLA,B,C,M,N,O,P1KF60.77
CE9DODECYL NONA ETHYLENE GLYCOL ETHERA3DM80.77
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C2W6U0.79
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C2W160.79
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C2W760.79
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C2W780.79
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C,D1WDK0.79
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C2W6T0.79
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B2W750.79
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A1TV50.79
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B2O5P0.79
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C,D1WDL0.79
N8E3,6,9,12,15-PENTAOXATRICOSAN-1-
OL
A,B,C2W770.79
P152,5,8,11,14,17-HEXAOXANONADECAN-
19-OL
A,B2H7J0.73
FU42,6-ANHYDRO-1-DEOXY-D-GALACTITOLA2OBD0.74
FU42,6-ANHYDRO-1-DEOXY-D-GALACTITOLA,D2IWG0.74
3HD3-O-METHYL-O-ALPHA-D-MANNOPYRANOSYLA2HGO0.71
GVT3,6,9,12,15,18,21,24,27-nonaoxaheptatriacontan-
1-ol
A,B,C,D,E,F,
G,H,I
2VQG0.77
C10HEXAETHYLENE GLYCOL MONODECYL ETHERA,B2BHI0.79
ZPG(2S,5R,8R,11S,14S,17S,21R)-5,8,11,14,17-
PENTAMETHYL-4,7,10,13,16,19-HEXAOXADOCOSANE-
2,21-DIOL
A2H2I0.75
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B2R8A0.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B2VQI0.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA2POR0.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H350.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C2F1T0.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,D,E2GR70.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA5PRN0.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B2QTK0.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1PRN0.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1HXT0.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1GFP0.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1NQG0.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA7PRN0.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEX3DWO0.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H390.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B2BIX0.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H3B0.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1O6H0.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1QJP0.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B2ODJ0.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1GFO0.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B3BRY0.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA3BRZ0.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1GFQ0.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA2ZFG0.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1BXW0.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1GFN0.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C2O4V0.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,C1ETH0.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1O6Q0.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEX2F1C0.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1BH30.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1O790.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C3DZM0.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B2SQC0.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA8PRN0.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1O6R0.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA2PRN0.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B3BS00.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1QJ80.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H3A0.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1MPF0.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1NQH0.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1GSZ0.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1NQE0.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1HXX0.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H370.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B1T160.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1GFM0.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B1GZM0.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA3PRN0.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA2OMF0.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1UMP0.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H360.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA,B,C1H3C0.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA3C9L0.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA6PRN0.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA1NQF0.79
C8E(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANEA3POR0.79
PA3PAROMOMYCIN (RING 3)A1PBR0.71
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL
A1UP00.73
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL
A,B2ZNW0.73
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL
A,B1I4F0.73
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL
A1PIN0.73
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL
A,B2ARV0.73
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL
A,B2ZNX0.73
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL
A,B1D7B0.73
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL
A,B1D7D0.73
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL
A1E0B0.73
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL
A,B1D7C0.73
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL
A1NE80.73
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL
A2VMC0.73
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL
A,B,C2HTE0.73
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL
A,B1N5S0.73
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL
A,B,C,D1Z690.73
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL
A,F2ARP0.73
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL
A2VMD0.73
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL
A,B,C2I7C0.73
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL
A,B,C2PT60.73
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL
A,B,C2PT90.73
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL
B2ECU0.73
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL
A1UP30.73
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL
A,B,C2PSS0.73
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL
A1UP20.73
1PG2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-
ETHOXY}-ETHOXY)-ETHANOL
A,B1PL30.73
HND(4S)-nonane-1,4-diolA2KAR0.73
HND(4S)-nonane-1,4-diolA2KAS0.73
HTOHEPTANE-1,2,3-TRIOLH,L,M2HH10.78
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWT0.78
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXK0.78
HTOHEPTANE-1,2,3-TRIOLH,L,M1RZH0.78
HTOHEPTANE-1,2,3-TRIOLH,L,M2HG30.78
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX30.78
HTOHEPTANE-1,2,3-TRIOLA2PIL0.78
HTOHEPTANE-1,2,3-TRIOLA,B1U190.78
HTOHEPTANE-1,2,3-TRIOLH,L,M2J8D0.78
HTOHEPTANE-1,2,3-TRIOLA,B,C,D3DTU0.78
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX40.78
HTOHEPTANE-1,2,3-TRIOLA,B1HZX0.78
HTOHEPTANE-1,2,3-TRIOLA,B2G870.78
HTOHEPTANE-1,2,3-TRIOLA,B2PED0.78
HTOHEPTANE-1,2,3-TRIOLC,H,L,M3D380.78
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWV0.78
HTOHEPTANE-1,2,3-TRIOLH,L,M1RG50.78
HTOHEPTANE-1,2,3-TRIOLA1KMO0.78
HTOHEPTANE-1,2,3-TRIOLC,H,L,M1L9B0.78
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWU0.78
HTOHEPTANE-1,2,3-TRIOLA1AY20.78
HTOHEPTANE-1,2,3-TRIOLA,B1RP00.78
HTOHEPTANE-1,2,3-TRIOLC,H,L,M2I5N0.78
HTOHEPTANE-1,2,3-TRIOLH,L,M2J8C0.78
HTOHEPTANE-1,2,3-TRIOLH,L,M2HJ60.78
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXJ0.78
HTOHEPTANE-1,2,3-TRIOLL,M1YF60.78
HTOHEPTANE-1,2,3-TRIOLB2BF30.78
HTOHEPTANE-1,2,3-TRIOLA,B2HPY0.78
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX50.78
HTOHEPTANE-1,2,3-TRIOLL,M,X2UXM0.78
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXL0.78
HTOHEPTANE-1,2,3-TRIOLA,B1L9H0.78
HTOHEPTANE-1,2,3-TRIOLA2HI20.78
HTOHEPTANE-1,2,3-TRIOLA,B,D,E,G,H,
J,K
1LGH0.78
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWW0.78