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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03128780

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HND(4S)-nonane-1,4-diolA2KAR0.76
HND(4S)-nonane-1,4-diolA2KAS0.76
ASO1,5-ANHYDROSORBITOLA1XIE0.71
ASO1,5-ANHYDROSORBITOLA3GUH0.71
ASO1,5-ANHYDROSORBITOLA,B2ASV0.71
ASO1,5-ANHYDROSORBITOLH,L2EC90.71
HE4HEPTAN-1-OLA1ZNG0.74
PE9PENTAN-1-OLA1ZND0.75
SORD-SORBITOLA1FQA0.82
SORD-SORBITOLA,B,C,D3XIM0.82
SORD-SORBITOLA2VFT0.82
SORD-SORBITOLA,B,C,D5XIM0.82
SORD-SORBITOLA3BRF0.82
SORD-SORBITOLA1XIH0.82
SORD-SORBITOLA2DXR0.82
SORD-SORBITOLA1D8C0.82
SORD-SORBITOLA,B,C,D2XIN0.82
SORD-SORBITOLA1FQB0.82
SORD-SORBITOLA,B4XIA0.82
CXLCYCLOHEXANOLA,B1HDX0.8
CBU(1R,2R,3S,4S,5S,6S)-CYCLOHEXANE-
1,2,3,4,5,6-HEXOL
A,B2VT00.77
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA3BXD0.77
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA1IEV0.77
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA1PTG0.77
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA,B,C2OS90.77
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA,B,C,D2R710.77
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA,B1G0I0.77
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA2HUO0.77
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA,B1Y7V0.77
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA1AOD0.77
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA,B3EA20.77
XYLD-XYLITOLA,B1XLC0.73
XYLD-XYLITOLA1S5N0.73
XYLD-XYLITOLA1W3Y0.73
XYLD-XYLITOLA1NJR0.73
XYLD-XYLITOLG,H,L2B4C0.73
XYLD-XYLITOLA,B1FX50.73
XYLD-XYLITOLA,B1XLM0.73
XYLD-XYLITOLA,B,C,D1XIN0.73
XYLD-XYLITOLA,B,C,D2XIM0.73
XYLD-XYLITOLA2VFS0.73
XYLD-XYLITOLA,B,C,D1XIM0.73
XYLD-XYLITOLA2XIS0.73
XYLD-XYLITOLA,B1XLG0.73
XYLD-XYLITOLA,B1XLD0.73
XYLD-XYLITOLA1LTE0.73
XYLD-XYLITOLA,B1XLJ0.73
XYLD-XYLITOLA1XIG0.73
XYLD-XYLITOLA,B5XIA0.73
SBT2-BUTANOLA,B,C,D1BXZ0.71
SBT2-BUTANOLA2PLH0.71
HTOHEPTANE-1,2,3-TRIOLH,L,M2HH10.76
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWT0.76
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXK0.76
HTOHEPTANE-1,2,3-TRIOLH,L,M1RZH0.76
HTOHEPTANE-1,2,3-TRIOLH,L,M2HG30.76
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX30.76
HTOHEPTANE-1,2,3-TRIOLA2PIL0.76
HTOHEPTANE-1,2,3-TRIOLA,B1U190.76
HTOHEPTANE-1,2,3-TRIOLH,L,M2J8D0.76
HTOHEPTANE-1,2,3-TRIOLA,B,C,D3DTU0.76
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX40.76
HTOHEPTANE-1,2,3-TRIOLA,B1HZX0.76
HTOHEPTANE-1,2,3-TRIOLA,B2G870.76
HTOHEPTANE-1,2,3-TRIOLA,B2PED0.76
HTOHEPTANE-1,2,3-TRIOLC,H,L,M3D380.76
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWV0.76
HTOHEPTANE-1,2,3-TRIOLH,L,M1RG50.76
HTOHEPTANE-1,2,3-TRIOLA1KMO0.76
HTOHEPTANE-1,2,3-TRIOLC,H,L,M1L9B0.76
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWU0.76
HTOHEPTANE-1,2,3-TRIOLA1AY20.76
HTOHEPTANE-1,2,3-TRIOLA,B1RP00.76
HTOHEPTANE-1,2,3-TRIOLC,H,L,M2I5N0.76
HTOHEPTANE-1,2,3-TRIOLH,L,M2J8C0.76
HTOHEPTANE-1,2,3-TRIOLH,L,M2HJ60.76
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXJ0.76
HTOHEPTANE-1,2,3-TRIOLL,M1YF60.76
HTOHEPTANE-1,2,3-TRIOLB2BF30.76
HTOHEPTANE-1,2,3-TRIOLA,B2HPY0.76
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX50.76
HTOHEPTANE-1,2,3-TRIOLL,M,X2UXM0.76
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXL0.76
HTOHEPTANE-1,2,3-TRIOLA,B1L9H0.76
HTOHEPTANE-1,2,3-TRIOLA2HI20.76
HTOHEPTANE-1,2,3-TRIOLA,B,D,E,G,H,
J,K
1LGH0.76
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWW0.76
RNTL-RHAMNITOLA,B,C,D1DE50.85
HEZHEXANE-1,6-DIOLA,B1X1V0.82
HEZHEXANE-1,6-DIOLA,B,C,D,E,F1M8T0.82
HEZHEXANE-1,6-DIOLA1J7K0.82
HEZHEXANE-1,6-DIOLA2IOR0.82
HEZHEXANE-1,6-DIOLA,D2NY20.82
HEZHEXANE-1,6-DIOLA2NY00.82
HEZHEXANE-1,6-DIOLA,B,C,D3CDO0.82
HEZHEXANE-1,6-DIOLA,B,C,D2NXZ0.82
HEZHEXANE-1,6-DIOLA,D2NY40.82
HEZHEXANE-1,6-DIOLA1P2V0.82
HEZHEXANE-1,6-DIOLA1NHZ0.82
HEZHEXANE-1,6-DIOLA,C,D,E,F,G2HY60.82
HEZHEXANE-1,6-DIOLA2NXY0.82
HEZHEXANE-1,6-DIOLA,B2VYP0.82
HEZHEXANE-1,6-DIOLA,B1JMT0.82
HEZHEXANE-1,6-DIOLA1U3C0.82
HEZHEXANE-1,6-DIOLA,B,C,D3G360.82
HEZHEXANE-1,6-DIOLA,B,C,D3EDC0.82
HEZHEXANE-1,6-DIOLA1QUH0.82
HEZHEXANE-1,6-DIOLA1IN40.82
HEZHEXANE-1,6-DIOLA,B,C,D1WXW0.82
HEZHEXANE-1,6-DIOLA,B3EV10.82
HEZHEXANE-1,6-DIOLA,B,D2WIW0.82
HEZHEXANE-1,6-DIOLA,B,C,D1IBY0.82
HEZHEXANE-1,6-DIOLA1QUD0.82
3HD3-O-METHYL-O-ALPHA-D-MANNOPYRANOSYLA2HGO0.74
BU21,3-BUTANEDIOLA,B1LOL0.76
BU21,3-BUTANEDIOLA,B2RFM0.76
MTLD-MANNITOLA,B1ZZU0.82
MTLD-MANNITOLA,B1ZZQ0.82
MTLD-MANNITOLA,B1M2W0.82
MTLD-MANNITOLA2VFU0.82
HE2HEXAN-1-OLA1ZNE0.82
BU3(R,R)-2,3-BUTANEDIOLA,B2CL50.7
BU3(R,R)-2,3-BUTANEDIOLA1Z2U0.7
BU3(R,R)-2,3-BUTANEDIOLA,B1SMH0.7
BU3(R,R)-2,3-BUTANEDIOLA1XH90.7
BU3(R,R)-2,3-BUTANEDIOLA,B,C,D,E,F,
G,H
2F9P0.7
BU3(R,R)-2,3-BUTANEDIOLA2H900.7
BU3(R,R)-2,3-BUTANEDIOLA,B,C,D,E,F,
G,H
2F9N0.7
BU3(R,R)-2,3-BUTANEDIOLA,B1XH50.7
FOCFUCITOLA,B,C,D,E,F1FUI0.85