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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02316587

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3HD3-O-METHYL-O-ALPHA-D-MANNOPYRANOSYLA2HGO0.7
PGOS-1,2-PROPANEDIOLA2Z3V0.73
PGOS-1,2-PROPANEDIOLA,B1WOM0.73
PGOS-1,2-PROPANEDIOLA,B,E,L1DIO0.73
PGOS-1,2-PROPANEDIOLA,B1R9E0.73
PGOS-1,2-PROPANEDIOLA,B,C,D2PJM0.73
PGOS-1,2-PROPANEDIOLA,L1EGM0.73
PGOS-1,2-PROPANEDIOLA1K6E0.73
PGOS-1,2-PROPANEDIOLA2RIL0.73
PGOS-1,2-PROPANEDIOLA,B,C3GDH0.73
PGOS-1,2-PROPANEDIOLA,B1EX00.73
PGOS-1,2-PROPANEDIOLA,B,C,D,E,F,
G,H
2OIF0.73
PGOS-1,2-PROPANEDIOLA,B3BXP0.73
PGOS-1,2-PROPANEDIOLA,B2EWG0.73
PGOS-1,2-PROPANEDIOLA,L1EGV0.73
PGOS-1,2-PROPANEDIOLA2IZS0.73
PGOS-1,2-PROPANEDIOLA,B,C,D2V9N0.73
PGOS-1,2-PROPANEDIOLA,B,N,P1HHY0.73
PGOS-1,2-PROPANEDIOLA,B2J1P0.73
PGOS-1,2-PROPANEDIOLA2V9L0.73
PGOS-1,2-PROPANEDIOLA,B1RRM0.73
PGOS-1,2-PROPANEDIOLA,B3BF50.73
PGOS-1,2-PROPANEDIOLA1DS10.73
PGOS-1,2-PROPANEDIOLA,B2VZ60.73
PGOS-1,2-PROPANEDIOLA,B1HQS0.73
PGOS-1,2-PROPANEDIOLA2ODV0.73
PGOS-1,2-PROPANEDIOLA,B,E,L1IWP0.73
PGOS-1,2-PROPANEDIOLA,B3BEM0.73
PGOS-1,2-PROPANEDIOLA,L1EEX0.73
PGOS-1,2-PROPANEDIOLA3BQR0.73
PGOS-1,2-PROPANEDIOLA3D710.73
PGOS-1,2-PROPANEDIOLA,B1EVU0.73
PGOS-1,2-PROPANEDIOLA2IZR0.73
PGOS-1,2-PROPANEDIOLA,B,E,L1UC40.73
PGOS-1,2-PROPANEDIOLA,B2E7Y0.73
F09NONAN-1-OLA,C2DWD0.76
F09NONAN-1-OLB,C1R3L0.76
F09NONAN-1-OLC,H1R3I0.76
F09NONAN-1-OLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V
1YCE0.76
F09NONAN-1-OLC2DWE0.76
F09NONAN-1-OLA,C2HVJ0.76
F09NONAN-1-OLB,C1R3J0.76
F09NONAN-1-OLC1K4D0.76
F09NONAN-1-OLA,C1K4C0.76
F09NONAN-1-OLC2ATK0.76
F09NONAN-1-OLA,C1ZWI0.76
F09NONAN-1-OLA1ZNK0.76
F09NONAN-1-OLB,C1S5H0.76
F09NONAN-1-OLA,C2HVK0.76
F09NONAN-1-OLA,C2P7T0.76
PGRR-1,2-PROPANEDIOLA,B3BXP0.73
PGRR-1,2-PROPANEDIOLA,B,C,P1HHZ0.73
PGRR-1,2-PROPANEDIOLA2PC00.73
PGRR-1,2-PROPANEDIOLA,B,C3GDH0.73
PGRR-1,2-PROPANEDIOLA2VBK0.73
PGRR-1,2-PROPANEDIOLA,B1HQS0.73
PGRR-1,2-PROPANEDIOLA1YIQ0.73
PGRR-1,2-PROPANEDIOLA3EO70.73
PGRR-1,2-PROPANEDIOLA1REM0.73
PGRR-1,2-PROPANEDIOLA2V2B0.73
PGRR-1,2-PROPANEDIOLA,B,E,L1UC50.73
PGRR-1,2-PROPANEDIOLA2HB40.73
MQD2-METHYLPENTANE-1,2,4-TRIOLA,B1OAD0.72
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA3BXD0.73
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA1IEV0.73
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA1PTG0.73
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA,B,C2OS90.73
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA,B,C,D2R710.73
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA,B1G0I0.73
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA2HUO0.73
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA,B1Y7V0.73
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA1AOD0.73
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA,B3EA20.73
PE9PENTAN-1-OLA1ZND0.7
HTOHEPTANE-1,2,3-TRIOLH,L,M2HH10.94
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWT0.94
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXK0.94
HTOHEPTANE-1,2,3-TRIOLH,L,M1RZH0.94
HTOHEPTANE-1,2,3-TRIOLH,L,M2HG30.94
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX30.94
HTOHEPTANE-1,2,3-TRIOLA2PIL0.94
HTOHEPTANE-1,2,3-TRIOLA,B1U190.94
HTOHEPTANE-1,2,3-TRIOLH,L,M2J8D0.94
HTOHEPTANE-1,2,3-TRIOLA,B,C,D3DTU0.94
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX40.94
HTOHEPTANE-1,2,3-TRIOLA,B1HZX0.94
HTOHEPTANE-1,2,3-TRIOLA,B2G870.94
HTOHEPTANE-1,2,3-TRIOLA,B2PED0.94
HTOHEPTANE-1,2,3-TRIOLC,H,L,M3D380.94
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWV0.94
HTOHEPTANE-1,2,3-TRIOLH,L,M1RG50.94
HTOHEPTANE-1,2,3-TRIOLA1KMO0.94
HTOHEPTANE-1,2,3-TRIOLC,H,L,M1L9B0.94
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWU0.94
HTOHEPTANE-1,2,3-TRIOLA1AY20.94
HTOHEPTANE-1,2,3-TRIOLA,B1RP00.94
HTOHEPTANE-1,2,3-TRIOLC,H,L,M2I5N0.94
HTOHEPTANE-1,2,3-TRIOLH,L,M2J8C0.94
HTOHEPTANE-1,2,3-TRIOLH,L,M2HJ60.94
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXJ0.94
HTOHEPTANE-1,2,3-TRIOLL,M1YF60.94
HTOHEPTANE-1,2,3-TRIOLB2BF30.94
HTOHEPTANE-1,2,3-TRIOLA,B2HPY0.94
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX50.94
HTOHEPTANE-1,2,3-TRIOLL,M,X2UXM0.94
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXL0.94
HTOHEPTANE-1,2,3-TRIOLA,B1L9H0.94
HTOHEPTANE-1,2,3-TRIOLA2HI20.94
HTOHEPTANE-1,2,3-TRIOLA,B,D,E,G,H,
J,K
1LGH0.94
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWW0.94
CBU(1R,2R,3S,4S,5S,6S)-CYCLOHEXANE-
1,2,3,4,5,6-HEXOL
A,B2VT00.73
MTLD-MANNITOLA,B1ZZU0.77
MTLD-MANNITOLA,B1ZZQ0.77
MTLD-MANNITOLA,B1M2W0.77
MTLD-MANNITOLA2VFU0.77
FOCFUCITOLA,B,C,D,E,F1FUI0.8
FU42,6-ANHYDRO-1-DEOXY-D-GALACTITOLA2OBD0.74
FU42,6-ANHYDRO-1-DEOXY-D-GALACTITOLA,D2IWG0.74
ODIOCTANE-1,8-DIOLA2DM50.76
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
HND(4S)-nonane-1,4-diolA2KAR0.82
HND(4S)-nonane-1,4-diolA2KAS0.82
HE2HEXAN-1-OLA1ZNE0.77
BU21,3-BUTANEDIOLA,B1LOL0.71
BU21,3-BUTANEDIOLA,B2RFM0.71
1DO1-DODECANOLA,Z2CFZ0.76
PL3HEXADECAN-1-OLA,B,C,D2UUU0.71
PL3HEXADECAN-1-OLA,B,C,D2UUV0.71
HEZHEXANE-1,6-DIOLA,B1X1V0.77
HEZHEXANE-1,6-DIOLA,B,C,D,E,F1M8T0.77
HEZHEXANE-1,6-DIOLA1J7K0.77
HEZHEXANE-1,6-DIOLA2IOR0.77
HEZHEXANE-1,6-DIOLA,D2NY20.77
HEZHEXANE-1,6-DIOLA2NY00.77
HEZHEXANE-1,6-DIOLA,B,C,D3CDO0.77
HEZHEXANE-1,6-DIOLA,B,C,D2NXZ0.77
HEZHEXANE-1,6-DIOLA,D2NY40.77
HEZHEXANE-1,6-DIOLA1P2V0.77
HEZHEXANE-1,6-DIOLA1NHZ0.77
HEZHEXANE-1,6-DIOLA,C,D,E,F,G2HY60.77
HEZHEXANE-1,6-DIOLA2NXY0.77
HEZHEXANE-1,6-DIOLA,B2VYP0.77
HEZHEXANE-1,6-DIOLA,B1JMT0.77
HEZHEXANE-1,6-DIOLA1U3C0.77
HEZHEXANE-1,6-DIOLA,B,C,D3G360.77
HEZHEXANE-1,6-DIOLA,B,C,D3EDC0.77
HEZHEXANE-1,6-DIOLA1QUH0.77
HEZHEXANE-1,6-DIOLA1IN40.77
HEZHEXANE-1,6-DIOLA,B,C,D1WXW0.77
HEZHEXANE-1,6-DIOLA,B3EV10.77
HEZHEXANE-1,6-DIOLA,B,D2WIW0.77
HEZHEXANE-1,6-DIOLA,B,C,D1IBY0.77
HEZHEXANE-1,6-DIOLA1QUD0.77
CXLCYCLOHEXANOLA,B1HDX0.75
DE1DECAN-1-OLA1ZNL0.76
SORD-SORBITOLA1FQA0.77
SORD-SORBITOLA,B,C,D3XIM0.77
SORD-SORBITOLA2VFT0.77
SORD-SORBITOLA,B,C,D5XIM0.77
SORD-SORBITOLA3BRF0.77
SORD-SORBITOLA1XIH0.77
SORD-SORBITOLA2DXR0.77
SORD-SORBITOLA1D8C0.77
SORD-SORBITOLA,B,C,D2XIN0.77
SORD-SORBITOLA1FQB0.77
SORD-SORBITOLA,B4XIA0.77
RNTL-RHAMNITOLA,B,C,D1DE50.8
OC9OCTAN-1-OLA1ZNH0.76
OC9OCTAN-1-OLA2QHV0.76
BU3(R,R)-2,3-BUTANEDIOLA,B2CL50.77
BU3(R,R)-2,3-BUTANEDIOLA1Z2U0.77
BU3(R,R)-2,3-BUTANEDIOLA,B1SMH0.77
BU3(R,R)-2,3-BUTANEDIOLA1XH90.77
BU3(R,R)-2,3-BUTANEDIOLA,B,C,D,E,F,
G,H
2F9P0.77
BU3(R,R)-2,3-BUTANEDIOLA2H900.77
BU3(R,R)-2,3-BUTANEDIOLA,B,C,D,E,F,
G,H
2F9N0.77
BU3(R,R)-2,3-BUTANEDIOLA,B1XH50.77
HE4HEPTAN-1-OLA1ZNG0.81