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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02475454

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CBU(1R,2R,3S,4S,5S,6S)-CYCLOHEXANE-
1,2,3,4,5,6-HEXOL
A,B2VT00.85
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA3BXD0.85
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA1IEV0.85
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA1PTG0.85
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA,B,C2OS90.85
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA,B,C,D2R710.85
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA,B1G0I0.85
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA2HUO0.85
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA,B1Y7V0.85
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA1AOD0.85
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA,B3EA20.85
SORD-SORBITOLA1FQA0.8
SORD-SORBITOLA,B,C,D3XIM0.8
SORD-SORBITOLA2VFT0.8
SORD-SORBITOLA,B,C,D5XIM0.8
SORD-SORBITOLA3BRF0.8
SORD-SORBITOLA1XIH0.8
SORD-SORBITOLA2DXR0.8
SORD-SORBITOLA1D8C0.8
SORD-SORBITOLA,B,C,D2XIN0.8
SORD-SORBITOLA1FQB0.8
SORD-SORBITOLA,B4XIA0.8
MTLD-MANNITOLA,B1ZZU0.8
MTLD-MANNITOLA,B1ZZQ0.8
MTLD-MANNITOLA,B1M2W0.8
MTLD-MANNITOLA2VFU0.8
RNTL-RHAMNITOLA,B,C,D1DE50.78
FOCFUCITOLA,B,C,D,E,F1FUI0.78
ASO1,5-ANHYDROSORBITOLA1XIE0.75
ASO1,5-ANHYDROSORBITOLA3GUH0.75
ASO1,5-ANHYDROSORBITOLA,B2ASV0.75
ASO1,5-ANHYDROSORBITOLH,L2EC90.75
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
3HD3-O-METHYL-O-ALPHA-D-MANNOPYRANOSYLA2HGO0.73
GLF1-FLUORO-ALPHA-1-DEOXY-D-GLUCOSEA1CXL0.72
IPDD-MYO-INOSITOL-1-PHOSPHATEA,B1IMA0.72
IPDD-MYO-INOSITOL-1-PHOSPHATEA,B1G0H0.72
IPDD-MYO-INOSITOL-1-PHOSPHATEA,B,C2ORK0.72
IPDD-MYO-INOSITOL-1-PHOSPHATEA,B1AWB0.72
IPDD-MYO-INOSITOL-1-PHOSPHATEA,B1LBX0.72
LIPL-MYO-INOSITOL-1-PHOSPHATEA,B1IMB0.72
LIPL-MYO-INOSITOL-1-PHOSPHATEA,B3C4V0.72
YLL(1R,2S,3S,4S,5R,6R)-6-(HYDROXYMETHYL)CYCLOHEXANE-
1,2,3,4,5-PENTOL
A,B2JAL0.71
I2PD-MYO-INOSITOL-2,4,5-TRIPHOSPHATEA,B1DJY0.71
2IPD-MYO-INOSITOL-1,4-BISPHOSPHATEA1I9Z0.71
IP2D-MYO-INOSITOL-4,5-BISPHOSPHATEA1HG20.71
IP2D-MYO-INOSITOL-4,5-BISPHOSPHATEA,B1DJZ0.71
I3S(1S,3S,4S)-1,3,4-TRIPHOSPHO-MYO-
INOSITOL
X1Z2P0.71
I3S(1S,3S,4S)-1,3,4-TRIPHOSPHO-MYO-
INOSITOL
A2P0H0.71
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
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
BDFBETA-D-FRUCTOPYRANOSEA1OVP0.7
BDFBETA-D-FRUCTOPYRANOSEA,B1N3Q0.7
BDFBETA-D-FRUCTOPYRANOSEB2FA10.7
GUL5-FLUORO-BETA-L-GULOSYL FLUORIDEA1QWN0.7
GUL5-FLUORO-BETA-L-GULOSYL FLUORIDEA1QWU0.7