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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03399678

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
XLFbeta-D-xylulofuranoseA,B3CTP0.73
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
DTLD-TREITOLA1H160.71
DTLD-TREITOLA1H170.71
DTLD-TREITOLA,C2AAW0.71
DTLD-TREITOLA,B1H180.71
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
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
MQD2-METHYLPENTANE-1,2,4-TRIOLA,B1OAD0.73
FOCFUCITOLA,B,C,D,E,F1FUI0.71
BU21,3-BUTANEDIOLA,B1LOL0.72
BU21,3-BUTANEDIOLA,B2RFM0.72
AE43,6,9,12,15-PENTAOXAHEPTADECAN-
1-OL
A,B2C2N0.73
POG(20S)-2,5,8,11,14,17-HEXAMETHYL-
3,6,9,12,15,18-HEXAOXAHENICOSANE-
1,20-DIOL
A1WOZ0.78
3HD3-O-METHYL-O-ALPHA-D-MANNOPYRANOSYLA2HGO0.75
P152,5,8,11,14,17-HEXAOXANONADECAN-
19-OL
A,B2H7J0.73
XYLD-XYLITOLA,B1XLC0.74
XYLD-XYLITOLA1S5N0.74
XYLD-XYLITOLA1W3Y0.74
XYLD-XYLITOLA1NJR0.74
XYLD-XYLITOLG,H,L2B4C0.74
XYLD-XYLITOLA,B1FX50.74
XYLD-XYLITOLA,B1XLM0.74
XYLD-XYLITOLA,B,C,D1XIN0.74
XYLD-XYLITOLA,B,C,D2XIM0.74
XYLD-XYLITOLA2VFS0.74
XYLD-XYLITOLA,B,C,D1XIM0.74
XYLD-XYLITOLA2XIS0.74
XYLD-XYLITOLA,B1XLG0.74
XYLD-XYLITOLA,B1XLD0.74
XYLD-XYLITOLA1LTE0.74
XYLD-XYLITOLA,B1XLJ0.74
XYLD-XYLITOLA1XIG0.74
XYLD-XYLITOLA,B5XIA0.74
MRYMESO-ERYTHRITOLA,B1XPG0.71
MRYMESO-ERYTHRITOLA,B1T7L0.71
MRYMESO-ERYTHRITOLA,B1XDJ0.71
MRYMESO-ERYTHRITOLA,B1XR20.71
FMF2-DEOXY-2-FLUOROHEXOPYRANOSYL FLUORIDEA1QX10.71
SSE1,4-DIDEOXY-1,4-[[2S,3S)-2,4-DIHYDROXY-
3-(SULFOXY)BUTYL]EPISELENONIUMYLIDENE]-
D-ARABINITOL INNER SALT
A1TQV0.74
RNTL-RHAMNITOLA,B,C,D1DE50.71
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
BLT1,4-DIDEOXY-1,4-[[2R,3R)-2,4-DIHYDROXY-
3-(SULFOXY)BUTYL]EPISELENONIUMYLIDENE]-
D-ARABINITOL INNER SALT
A1TQW0.74
DFX1,2-DEOXY-2-FLUORO-XYLOPYRANOSEA1BVV0.78
DFX1,2-DEOXY-2-FLUORO-XYLOPYRANOSEA,B,C,D1UHV0.78
DFX1,2-DEOXY-2-FLUORO-XYLOPYRANOSEA1C5I0.78
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
FU42,6-ANHYDRO-1-DEOXY-D-GALACTITOLA2OBD0.79
FU42,6-ANHYDRO-1-DEOXY-D-GALACTITOLA,D2IWG0.79
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
ASO1,5-ANHYDROSORBITOLA1XIE0.73
ASO1,5-ANHYDROSORBITOLA3GUH0.73
ASO1,5-ANHYDROSORBITOLA,B2ASV0.73
ASO1,5-ANHYDROSORBITOLH,L2EC90.73
PAV(2R,4S)-2-METHYL-2,3,3,4-TETRAHYDROXYTETRAHYDROFURANA,B3EJW0.77
PAV(2R,4S)-2-METHYL-2,3,3,4-TETRAHYDROXYTETRAHYDROFURANA1TJY0.77
PA3PAROMOMYCIN (RING 3)A1PBR0.81
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
BU3(R,R)-2,3-BUTANEDIOLA,B2CL50.72
BU3(R,R)-2,3-BUTANEDIOLA1Z2U0.72
BU3(R,R)-2,3-BUTANEDIOLA,B1SMH0.72
BU3(R,R)-2,3-BUTANEDIOLA1XH90.72
BU3(R,R)-2,3-BUTANEDIOLA,B,C,D,E,F,
G,H
2F9P0.72
BU3(R,R)-2,3-BUTANEDIOLA2H900.72
BU3(R,R)-2,3-BUTANEDIOLA,B,C,D,E,F,
G,H
2F9N0.72
BU3(R,R)-2,3-BUTANEDIOLA,B1XH50.72
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