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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00007410

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ASO1,5-ANHYDROSORBITOLA1XIE0.76
ASO1,5-ANHYDROSORBITOLA3GUH0.76
ASO1,5-ANHYDROSORBITOLA,B2ASV0.76
ASO1,5-ANHYDROSORBITOLH,L2EC90.76
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
BDFBETA-D-FRUCTOPYRANOSEA1OVP0.71
BDFBETA-D-FRUCTOPYRANOSEA,B1N3Q0.71
BDFBETA-D-FRUCTOPYRANOSEB2FA10.71
GUL5-FLUORO-BETA-L-GULOSYL FLUORIDEA1QWN0.71
GUL5-FLUORO-BETA-L-GULOSYL FLUORIDEA1QWU0.71
FOCFUCITOLA,B,C,D,E,F1FUI0.8
YLL(1R,2S,3S,4S,5R,6R)-6-(HYDROXYMETHYL)CYCLOHEXANE-
1,2,3,4,5-PENTOL
A,B2JAL0.71
CXLCYCLOHEXANOLA,B1HDX0.87
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
GLF1-FLUORO-ALPHA-1-DEOXY-D-GLUCOSEA1CXL0.73
3HD3-O-METHYL-O-ALPHA-D-MANNOPYRANOSYLA2HGO0.74
BU21,3-BUTANEDIOLA,B1LOL0.71
BU21,3-BUTANEDIOLA,B2RFM0.71
I2PD-MYO-INOSITOL-2,4,5-TRIPHOSPHATEA,B1DJY0.71
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA3BXD0.88
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA1IEV0.88
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA1PTG0.88
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA,B,C2OS90.88
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA,B,C,D2R710.88
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA,B1G0I0.88
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA2HUO0.88
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA,B1Y7V0.88
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA1AOD0.88
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA,B3EA20.88
CBU(1R,2R,3S,4S,5S,6S)-CYCLOHEXANE-
1,2,3,4,5,6-HEXOL
A,B2VT00.88
2IPD-MYO-INOSITOL-1,4-BISPHOSPHATEA1I9Z0.71
MTLD-MANNITOLA,B1ZZU0.82
MTLD-MANNITOLA,B1ZZQ0.82
MTLD-MANNITOLA,B1M2W0.82
MTLD-MANNITOLA2VFU0.82
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
IP2D-MYO-INOSITOL-4,5-BISPHOSPHATEA1HG20.71
IP2D-MYO-INOSITOL-4,5-BISPHOSPHATEA,B1DJZ0.71
LIPL-MYO-INOSITOL-1-PHOSPHATEA,B1IMB0.73
LIPL-MYO-INOSITOL-1-PHOSPHATEA,B3C4V0.73
HE2HEXAN-1-OLA1ZNE0.71
I3S(1S,3S,4S)-1,3,4-TRIPHOSPHO-MYO-
INOSITOL
X1Z2P0.71
I3S(1S,3S,4S)-1,3,4-TRIPHOSPHO-MYO-
INOSITOL
A2P0H0.71
HTOHEPTANE-1,2,3-TRIOLH,L,M2HH10.72
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWT0.72
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXK0.72
HTOHEPTANE-1,2,3-TRIOLH,L,M1RZH0.72
HTOHEPTANE-1,2,3-TRIOLH,L,M2HG30.72
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX30.72
HTOHEPTANE-1,2,3-TRIOLA2PIL0.72
HTOHEPTANE-1,2,3-TRIOLA,B1U190.72
HTOHEPTANE-1,2,3-TRIOLH,L,M2J8D0.72
HTOHEPTANE-1,2,3-TRIOLA,B,C,D3DTU0.72
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX40.72
HTOHEPTANE-1,2,3-TRIOLA,B1HZX0.72
HTOHEPTANE-1,2,3-TRIOLA,B2G870.72
HTOHEPTANE-1,2,3-TRIOLA,B2PED0.72
HTOHEPTANE-1,2,3-TRIOLC,H,L,M3D380.72
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWV0.72
HTOHEPTANE-1,2,3-TRIOLH,L,M1RG50.72
HTOHEPTANE-1,2,3-TRIOLA1KMO0.72
HTOHEPTANE-1,2,3-TRIOLC,H,L,M1L9B0.72
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWU0.72
HTOHEPTANE-1,2,3-TRIOLA1AY20.72
HTOHEPTANE-1,2,3-TRIOLA,B1RP00.72
HTOHEPTANE-1,2,3-TRIOLC,H,L,M2I5N0.72
HTOHEPTANE-1,2,3-TRIOLH,L,M2J8C0.72
HTOHEPTANE-1,2,3-TRIOLH,L,M2HJ60.72
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXJ0.72
HTOHEPTANE-1,2,3-TRIOLL,M1YF60.72
HTOHEPTANE-1,2,3-TRIOLB2BF30.72
HTOHEPTANE-1,2,3-TRIOLA,B2HPY0.72
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX50.72
HTOHEPTANE-1,2,3-TRIOLL,M,X2UXM0.72
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXL0.72
HTOHEPTANE-1,2,3-TRIOLA,B1L9H0.72
HTOHEPTANE-1,2,3-TRIOLA2HI20.72
HTOHEPTANE-1,2,3-TRIOLA,B,D,E,G,H,
J,K
1LGH0.72
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWW0.72
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA1H0A0.71
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA1NU20.71
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA1GC60.71
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA1MAI0.71
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA2P0D0.71
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA,B1OQN0.71
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA1U290.71
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA,B1W2C0.71
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA,B1DJX0.71
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA2A980.71
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA1N4K0.71
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA,B3C5N0.71
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA1BTN0.71
RNTL-RHAMNITOLA,B,C,D1DE50.8
IPDD-MYO-INOSITOL-1-PHOSPHATEA,B1IMA0.73
IPDD-MYO-INOSITOL-1-PHOSPHATEA,B1G0H0.73
IPDD-MYO-INOSITOL-1-PHOSPHATEA,B,C2ORK0.73
IPDD-MYO-INOSITOL-1-PHOSPHATEA,B1AWB0.73
IPDD-MYO-INOSITOL-1-PHOSPHATEA,B1LBX0.73
ITPPHOSPHORIC ACID MONO-(2,3,4,6-TETRAHYDROXY-
5-PHOSPHONOOXY-CYCLOHEXYL) ESTER
A,B1JOC0.71
ITPPHOSPHORIC ACID MONO-(2,3,4,6-TETRAHYDROXY-
5-PHOSPHONOOXY-CYCLOHEXYL) ESTER
A1HYI0.71