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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03293290

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HE4HEPTAN-1-OLA1ZNG0.84
MTLD-MANNITOLA,B1ZZU0.75
MTLD-MANNITOLA,B1ZZQ0.75
MTLD-MANNITOLA,B1M2W0.75
MTLD-MANNITOLA2VFU0.75
FU42,6-ANHYDRO-1-DEOXY-D-GALACTITOLA2OBD0.72
FU42,6-ANHYDRO-1-DEOXY-D-GALACTITOLA,D2IWG0.72
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
F09NONAN-1-OLA,C2DWD0.79
F09NONAN-1-OLB,C1R3L0.79
F09NONAN-1-OLC,H1R3I0.79
F09NONAN-1-OLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V
1YCE0.79
F09NONAN-1-OLC2DWE0.79
F09NONAN-1-OLA,C2HVJ0.79
F09NONAN-1-OLB,C1R3J0.79
F09NONAN-1-OLC1K4D0.79
F09NONAN-1-OLA,C1K4C0.79
F09NONAN-1-OLC2ATK0.79
F09NONAN-1-OLA,C1ZWI0.79
F09NONAN-1-OLA1ZNK0.79
F09NONAN-1-OLB,C1S5H0.79
F09NONAN-1-OLA,C2HVK0.79
F09NONAN-1-OLA,C2P7T0.79
RNTL-RHAMNITOLA,B,C,D1DE50.78
C10HEXAETHYLENE GLYCOL MONODECYL ETHERA,B2BHI0.72
HE2HEXAN-1-OLA1ZNE0.74
ODIOCTANE-1,8-DIOLA2DM50.79
MHN6-METHYLHEPTAN-1-OLA,B1OYF0.7
PL3HEXADECAN-1-OLA,B,C,D2UUU0.74
PL3HEXADECAN-1-OLA,B,C,D2UUV0.74
MQD2-METHYLPENTANE-1,2,4-TRIOLA,B1OAD0.7
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
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA3BXD0.71
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA1IEV0.71
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA1PTG0.71
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA,B,C2OS90.71
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA,B,C,D2R710.71
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA,B1G0I0.71
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA2HUO0.71
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA,B1Y7V0.71
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA1AOD0.71
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA,B3EA20.71
CBU(1R,2R,3S,4S,5S,6S)-CYCLOHEXANE-
1,2,3,4,5,6-HEXOL
A,B2VT00.71
XYLD-XYLITOLA,B1XLC0.71
XYLD-XYLITOLA1S5N0.71
XYLD-XYLITOLA1W3Y0.71
XYLD-XYLITOLA1NJR0.71
XYLD-XYLITOLG,H,L2B4C0.71
XYLD-XYLITOLA,B1FX50.71
XYLD-XYLITOLA,B1XLM0.71
XYLD-XYLITOLA,B,C,D1XIN0.71
XYLD-XYLITOLA,B,C,D2XIM0.71
XYLD-XYLITOLA2VFS0.71
XYLD-XYLITOLA,B,C,D1XIM0.71
XYLD-XYLITOLA2XIS0.71
XYLD-XYLITOLA,B1XLG0.71
XYLD-XYLITOLA,B1XLD0.71
XYLD-XYLITOLA1LTE0.71
XYLD-XYLITOLA,B1XLJ0.71
XYLD-XYLITOLA1XIG0.71
XYLD-XYLITOLA,B5XIA0.71
CXLCYCLOHEXANOLA,B1HDX0.73
1DO1-DODECANOLA,Z2CFZ0.79
SORD-SORBITOLA1FQA0.75
SORD-SORBITOLA,B,C,D3XIM0.75
SORD-SORBITOLA2VFT0.75
SORD-SORBITOLA,B,C,D5XIM0.75
SORD-SORBITOLA3BRF0.75
SORD-SORBITOLA1XIH0.75
SORD-SORBITOLA2DXR0.75
SORD-SORBITOLA1D8C0.75
SORD-SORBITOLA,B,C,D2XIN0.75
SORD-SORBITOLA1FQB0.75
SORD-SORBITOLA,B4XIA0.75
BU3(R,R)-2,3-BUTANEDIOLA,B2CL50.74
BU3(R,R)-2,3-BUTANEDIOLA1Z2U0.74
BU3(R,R)-2,3-BUTANEDIOLA,B1SMH0.74
BU3(R,R)-2,3-BUTANEDIOLA1XH90.74
BU3(R,R)-2,3-BUTANEDIOLA,B,C,D,E,F,
G,H
2F9P0.74
BU3(R,R)-2,3-BUTANEDIOLA2H900.74
BU3(R,R)-2,3-BUTANEDIOLA,B,C,D,E,F,
G,H
2F9N0.74
BU3(R,R)-2,3-BUTANEDIOLA,B1XH50.74
FOCFUCITOLA,B,C,D,E,F1FUI0.78
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-OLA1ZNH0.79
OC9OCTAN-1-OLA2QHV0.79
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
PGOS-1,2-PROPANEDIOLA2Z3V0.71
PGOS-1,2-PROPANEDIOLA,B1WOM0.71
PGOS-1,2-PROPANEDIOLA,B,E,L1DIO0.71
PGOS-1,2-PROPANEDIOLA,B1R9E0.71
PGOS-1,2-PROPANEDIOLA,B,C,D2PJM0.71
PGOS-1,2-PROPANEDIOLA,L1EGM0.71
PGOS-1,2-PROPANEDIOLA1K6E0.71
PGOS-1,2-PROPANEDIOLA2RIL0.71
PGOS-1,2-PROPANEDIOLA,B,C3GDH0.71
PGOS-1,2-PROPANEDIOLA,B1EX00.71
PGOS-1,2-PROPANEDIOLA,B,C,D,E,F,
G,H
2OIF0.71
PGOS-1,2-PROPANEDIOLA,B3BXP0.71
PGOS-1,2-PROPANEDIOLA,B2EWG0.71
PGOS-1,2-PROPANEDIOLA,L1EGV0.71
PGOS-1,2-PROPANEDIOLA2IZS0.71
PGOS-1,2-PROPANEDIOLA,B,C,D2V9N0.71
PGOS-1,2-PROPANEDIOLA,B,N,P1HHY0.71
PGOS-1,2-PROPANEDIOLA,B2J1P0.71
PGOS-1,2-PROPANEDIOLA2V9L0.71
PGOS-1,2-PROPANEDIOLA,B1RRM0.71
PGOS-1,2-PROPANEDIOLA,B3BF50.71
PGOS-1,2-PROPANEDIOLA1DS10.71
PGOS-1,2-PROPANEDIOLA,B2VZ60.71
PGOS-1,2-PROPANEDIOLA,B1HQS0.71
PGOS-1,2-PROPANEDIOLA2ODV0.71
PGOS-1,2-PROPANEDIOLA,B,E,L1IWP0.71
PGOS-1,2-PROPANEDIOLA,B3BEM0.71
PGOS-1,2-PROPANEDIOLA,L1EEX0.71
PGOS-1,2-PROPANEDIOLA3BQR0.71
PGOS-1,2-PROPANEDIOLA3D710.71
PGOS-1,2-PROPANEDIOLA,B1EVU0.71
PGOS-1,2-PROPANEDIOLA2IZR0.71
PGOS-1,2-PROPANEDIOLA,B,E,L1UC40.71
PGOS-1,2-PROPANEDIOLA,B2E7Y0.71
HND(4S)-nonane-1,4-diolA2KAR0.85
HND(4S)-nonane-1,4-diolA2KAS0.85
PGRR-1,2-PROPANEDIOLA,B3BXP0.71
PGRR-1,2-PROPANEDIOLA,B,C,P1HHZ0.71
PGRR-1,2-PROPANEDIOLA2PC00.71
PGRR-1,2-PROPANEDIOLA,B,C3GDH0.71
PGRR-1,2-PROPANEDIOLA2VBK0.71
PGRR-1,2-PROPANEDIOLA,B1HQS0.71
PGRR-1,2-PROPANEDIOLA1YIQ0.71
PGRR-1,2-PROPANEDIOLA3EO70.71
PGRR-1,2-PROPANEDIOLA1REM0.71
PGRR-1,2-PROPANEDIOLA2V2B0.71
PGRR-1,2-PROPANEDIOLA,B,E,L1UC50.71
PGRR-1,2-PROPANEDIOLA2HB40.71
DE1DECAN-1-OLA1ZNL0.79
HEZHEXANE-1,6-DIOLA,B1X1V0.74
HEZHEXANE-1,6-DIOLA,B,C,D,E,F1M8T0.74
HEZHEXANE-1,6-DIOLA1J7K0.74
HEZHEXANE-1,6-DIOLA2IOR0.74
HEZHEXANE-1,6-DIOLA,D2NY20.74
HEZHEXANE-1,6-DIOLA2NY00.74
HEZHEXANE-1,6-DIOLA,B,C,D3CDO0.74
HEZHEXANE-1,6-DIOLA,B,C,D2NXZ0.74
HEZHEXANE-1,6-DIOLA,D2NY40.74
HEZHEXANE-1,6-DIOLA1P2V0.74
HEZHEXANE-1,6-DIOLA1NHZ0.74
HEZHEXANE-1,6-DIOLA,C,D,E,F,G2HY60.74
HEZHEXANE-1,6-DIOLA2NXY0.74
HEZHEXANE-1,6-DIOLA,B2VYP0.74
HEZHEXANE-1,6-DIOLA,B1JMT0.74
HEZHEXANE-1,6-DIOLA1U3C0.74
HEZHEXANE-1,6-DIOLA,B,C,D3G360.74
HEZHEXANE-1,6-DIOLA,B,C,D3EDC0.74
HEZHEXANE-1,6-DIOLA1QUH0.74
HEZHEXANE-1,6-DIOLA1IN40.74
HEZHEXANE-1,6-DIOLA,B,C,D1WXW0.74
HEZHEXANE-1,6-DIOLA,B3EV10.74
HEZHEXANE-1,6-DIOLA,B,D2WIW0.74
HEZHEXANE-1,6-DIOLA,B,C,D1IBY0.74
HEZHEXANE-1,6-DIOLA1QUD0.74
HTOHEPTANE-1,2,3-TRIOLH,L,M2HH10.97
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWT0.97
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXK0.97
HTOHEPTANE-1,2,3-TRIOLH,L,M1RZH0.97
HTOHEPTANE-1,2,3-TRIOLH,L,M2HG30.97
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX30.97
HTOHEPTANE-1,2,3-TRIOLA2PIL0.97
HTOHEPTANE-1,2,3-TRIOLA,B1U190.97
HTOHEPTANE-1,2,3-TRIOLH,L,M2J8D0.97
HTOHEPTANE-1,2,3-TRIOLA,B,C,D3DTU0.97
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX40.97
HTOHEPTANE-1,2,3-TRIOLA,B1HZX0.97
HTOHEPTANE-1,2,3-TRIOLA,B2G870.97
HTOHEPTANE-1,2,3-TRIOLA,B2PED0.97
HTOHEPTANE-1,2,3-TRIOLC,H,L,M3D380.97
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWV0.97
HTOHEPTANE-1,2,3-TRIOLH,L,M1RG50.97
HTOHEPTANE-1,2,3-TRIOLA1KMO0.97
HTOHEPTANE-1,2,3-TRIOLC,H,L,M1L9B0.97
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWU0.97
HTOHEPTANE-1,2,3-TRIOLA1AY20.97
HTOHEPTANE-1,2,3-TRIOLA,B1RP00.97
HTOHEPTANE-1,2,3-TRIOLC,H,L,M2I5N0.97
HTOHEPTANE-1,2,3-TRIOLH,L,M2J8C0.97
HTOHEPTANE-1,2,3-TRIOLH,L,M2HJ60.97
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXJ0.97
HTOHEPTANE-1,2,3-TRIOLL,M1YF60.97
HTOHEPTANE-1,2,3-TRIOLB2BF30.97
HTOHEPTANE-1,2,3-TRIOLA,B2HPY0.97
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX50.97
HTOHEPTANE-1,2,3-TRIOLL,M,X2UXM0.97
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXL0.97
HTOHEPTANE-1,2,3-TRIOLA,B1L9H0.97
HTOHEPTANE-1,2,3-TRIOLA2HI20.97
HTOHEPTANE-1,2,3-TRIOLA,B,D,E,G,H,
J,K
1LGH0.97
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWW0.97