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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00009177

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GKRD-GLUCARATEA3CXT0.72
GKRD-GLUCARATEA,B1JCT0.72
PA55-PHOSPHOARABINONIC ACIDA1NUH0.7
PA55-PHOSPHOARABINONIC ACIDA1X820.7
PA55-PHOSPHOARABINONIC ACIDA,B1QXR0.7
PA55-PHOSPHOARABINONIC ACIDA,B1G980.7
PA55-PHOSPHOARABINONIC ACIDA,B1TZC0.7
PA55-PHOSPHOARABINONIC ACIDA1GZV0.7
PA55-PHOSPHOARABINONIC ACIDA1X7N0.7
PA55-PHOSPHOARABINONIC ACIDA1C7R0.7
GC12,6-ANHYDRO-L-GULONIC ACIDA1HUA0.71
TARD(-)-TARTARIC ACIDA,B2QKH0.9
TARD(-)-TARTARIC ACIDA2G4Y0.9
TARD(-)-TARTARIC ACIDA,B2Z3N0.9
TARD(-)-TARTARIC ACIDA,B,C,D2DW60.9
TARD(-)-TARTARIC ACIDA,B3CIC0.9
TARD(-)-TARTARIC ACIDA2VI20.9
TARD(-)-TARTARIC ACIDA,B2Z3O0.9
TARD(-)-TARTARIC ACIDA1KWN0.9
TARD(-)-TARTARIC ACIDA1RPA0.9
TARD(-)-TARTARIC ACIDA,B2DPT0.9
TARD(-)-TARTARIC ACIDA,B2EUA0.9
TARD(-)-TARTARIC ACIDA,B2QMF0.9
TARD(-)-TARTARIC ACIDA,B,C,D1JZ80.9
TARD(-)-TARTARIC ACIDA,B2QP80.9
TARD(-)-TARTARIC ACIDA1MZE0.9
TARD(-)-TARTARIC ACIDA,B,C,D3D4O0.9
TARD(-)-TARTARIC ACIDB,C,F,H,I,K,L2DD40.9
TARD(-)-TARTARIC ACIDA1EM20.9
TARD(-)-TARTARIC ACIDA,B3CID0.9
TARD(-)-TARTARIC ACIDA,B,C,D1CCW0.9
TARD(-)-TARTARIC ACIDA,B2Z3M0.9
TARD(-)-TARTARIC ACIDA,B2C1L0.9
TARD(-)-TARTARIC ACIDA,B,C,E2DCY0.9
TARD(-)-TARTARIC ACIDA,B,C,D2IHU0.9
TARD(-)-TARTARIC ACIDA,B2QMG0.9
TARD(-)-TARTARIC ACIDC1HVV0.9
TARD(-)-TARTARIC ACIDA,B2QMD0.9
TARD(-)-TARTARIC ACIDA,B2Z3K0.9
TARD(-)-TARTARIC ACIDA,B2Z3P0.9
TARD(-)-TARTARIC ACIDA,B3CIB0.9
TARD(-)-TARTARIC ACIDA,B2Z3L0.9
TARD(-)-TARTARIC ACIDA,B2FP90.9
TARD(-)-TARTARIC ACIDA,B2CDQ0.9
TARD(-)-TARTARIC ACIDA2HUB0.9
TARD(-)-TARTARIC ACIDA2OQN0.9
TARD(-)-TARTARIC ACIDA,B,C,D1CB70.9
TARD(-)-TARTARIC ACIDA2RKU0.9
TARD(-)-TARTARIC ACIDA,B3D420.9
TARD(-)-TARTARIC ACIDA,B2ZYQ0.9
TARD(-)-TARTARIC ACIDA,B1YGY0.9
TARD(-)-TARTARIC ACIDA,B,C,D1WQS0.9
CS2D-MANNONIC ACIDA,B,C,D2QJM0.73
CS2D-MANNONIC ACIDA,B3DBN0.73
3MF3-O-METHYLFRUCTOSE IN LINEAR FORMA,B1XYC0.73
MSUSUCCINIC ACID MONOMETHYL ESTERA,B,I,J2RDL0.71
MSUSUCCINIC ACID MONOMETHYL ESTERI1HNE0.71
MSUSUCCINIC ACID MONOMETHYL ESTERA,B2H5D0.71
MSUSUCCINIC ACID MONOMETHYL ESTERE,I3PRK0.71
ICAISOCITRATE CALCIUM COMPLEXA1AI20.71
DMR2-HYDROXY-SUCCINIC ACIDA,B2YZO0.9
DMR2-HYDROXY-SUCCINIC ACIDA4CSC0.9
DMR2-HYDROXY-SUCCINIC ACIDH,L1C1E0.9
DMR2-HYDROXY-SUCCINIC ACIDA2CSC0.9
DMR2-HYDROXY-SUCCINIC ACIDA2AR90.9
DGY(2R)-2,3-DIHYDROXYPROPANOIC ACIDA,B,C,D2GCG0.76
DGY(2R)-2,3-DIHYDROXYPROPANOIC ACIDA,B2BO60.76
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
M1E6X0.73
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A,B2E400.73
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A2VWG0.73
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A,B3EQO0.73
1N5(2R,4S)-2,4,7-trihydroxyheptanoic acidA,B3CXO0.71
LFC6-DEOXY-L-GALACTONIC ACIDA2HXU0.75
RB3(1R)-3-{[(1R)-3-METHOXY-1-METHYL-
3-OXOPROPYL]OXY}-1-METHYL-3-OXOPROPYL (3R)-
3-HYDROXYBUTANOATE
A2D810.76
KPLKETOPANTOATEA,B,C,D,E,F,
G,H,I,J
1M3U0.74
DEZ4-PHOSPHO-D-ERYTHRONATEA,B,C,D,E2BET0.78
DMV2,3-DIHYDROXY-VALERIANIC ACIDA,B,C,D1QMG0.76
GCOGLUCONIC ACIDB,C,D1BGG0.73
GCOGLUCONIC ACIDA,B1XLF0.73
PAFPANTOATEA,B2OFP0.8
PAFPANTOATEA,B1N2E0.8
PAFPANTOATEA,B1N2B0.8
PAFPANTOATEA,B1N2J0.8
XLSD-XYLOSE (LINEAR FORM)A,B2QW50.73
XLSD-XYLOSE (LINEAR FORM)A2BRP0.73
XLSD-XYLOSE (LINEAR FORM)A3XIS0.73
XLSD-XYLOSE (LINEAR FORM)A,B,C,D8XIM0.73
XLSD-XYLOSE (LINEAR FORM)A4XIS0.73
XLSD-XYLOSE (LINEAR FORM)A,B,C,D9XIM0.73
XLSD-XYLOSE (LINEAR FORM)A,B,C,D5XIN0.73
XLSD-XYLOSE (LINEAR FORM)A8XIA0.73
XLSD-XYLOSE (LINEAR FORM)A,B,C,D6XIM0.73
XLSD-XYLOSE (LINEAR FORM)A1XIC0.73
MLTMALATE IONA1WZU0.9
MLTMALATE IONA,B3G1P0.9
MLTMALATE IONA,B1KQ70.9
MLTMALATE IONA3BI80.9
MLTMALATE IONA,B2GQ30.9
MLTMALATE IONA2VKL0.9
MLTMALATE IONA1AMZ0.9
MLTMALATE IONA3B7O0.9
MLTMALATE IONA,B,C,D2DFD0.9
MLTMALATE IONA,B2Z1Z0.9
MLTMALATE IONA,B1N8W0.9
MLTMALATE IONA,B,C,D1PJ40.9
MLTMALATE IONA,B1FUO0.9
MLTMALATE IONA,B,C,D1OUW0.9
MLTMALATE IONA2BYO0.9
MLTMALATE IONA,B2G760.9
MLTMALATE IONX2FGQ0.9
MLTMALATE IONB2VJ20.9
MLTMALATE IONA1XUU0.9
MLTMALATE IONA,B1FUP0.9
MLTMALATE IONA,B,C,D,E,F,
G,H
3D470.9
MLTMALATE IONA,B,C,D1NBE0.9
MLTMALATE IONA2IMG0.9
MLTMALATE IONA3CM40.9
MLTMALATE IONA3BY80.9
MLTMALATE IONA,B,C,D1WWJ0.9
MLTMALATE IONA,B1FUR0.9
MLTMALATE IONA,B,C,D1PJ20.9
MLTMALATE IONA3DR30.9
149D-GALCTOPYRANOSYL-1-ONA,B,C,D1JZ50.73
149D-GALCTOPYRANOSYL-1-ONA,B,C,D3CZJ0.73
IPM3-ISOPROPYLMALIC ACIDA,B1A050.78
IPM3-ISOPROPYLMALIC ACIDA1HJ60.78
DXG4-DEOXYGLUCARATEA,B,C,D1ECQ0.73
R105-O-phosphono-D-ribonic acidA,B,C,D,E2VVQ0.7
VADDEAMINOHYDROXYVALINEC1CWO0.73
3HL(3S)-3-HYDROXYBUTANOIC ACIDA2ECQ0.76
3HL(3S)-3-HYDROXYBUTANOIC ACIDA,B,C,D3EEW0.76
SRTS,R MESO-TARTARIC ACIDA,B1N970.9
SRTS,R MESO-TARTARIC ACIDA,B2V6Y0.9
SRTS,R MESO-TARTARIC ACIDA2OT90.9
SRTS,R MESO-TARTARIC ACIDA2R610.9
SRTS,R MESO-TARTARIC ACIDA1XXN0.9
SRTS,R MESO-TARTARIC ACIDA,B2IXI0.9
SRTS,R MESO-TARTARIC ACIDA2RA50.9
SRTS,R MESO-TARTARIC ACIDA,B2C1L0.9
SRTS,R MESO-TARTARIC ACIDA2IXJ0.9
SRTS,R MESO-TARTARIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
2JBM0.9
SRTS,R MESO-TARTARIC ACIDA3CMJ0.9
SRTS,R MESO-TARTARIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2DW70.9
SRTS,R MESO-TARTARIC ACIDB,C,D2P3V0.9
SRTS,R MESO-TARTARIC ACIDA3CK20.9
SRTS,R MESO-TARTARIC ACIDA1RTV0.9
SRTS,R MESO-TARTARIC ACIDA,B,C3H350.9
SRTS,R MESO-TARTARIC ACIDA2RKU0.9
RNSL-RHAMNOSEA,B,C,D1X8D0.71
RNSL-RHAMNOSEA,B,C,D1DE60.71
RNSL-RHAMNOSEA,B,C,D2I560.71
DERD-4-PHOSPHOERYTHRONIC ACIDA,B,C,D1LK70.78
DERD-4-PHOSPHOERYTHRONIC ACIDA,B2CXO0.78
LGTL-GLUCARIC ACIDA,B,C,D3CB30.72
LGTL-GLUCARIC ACIDA,B,C2PP30.72
ICTISOCITRIC ACIDA1IDE0.75
ICTISOCITRIC ACIDA,B2UXR0.75
ICTISOCITRIC ACIDA,B1XKD0.75
ICTISOCITRIC ACIDA8ICD0.75
ICTISOCITRIC ACIDA,B,D1XG40.75
ICTISOCITRIC ACIDA1CW70.75
ICTISOCITRIC ACIDA1GRO0.75
ICTISOCITRIC ACIDA1W8G0.75
ICTISOCITRIC ACIDA5ICD0.75
ICTISOCITRIC ACIDA,B1LWD0.75
ICTISOCITRIC ACIDA,B,C,D1ITW0.75
ICTISOCITRIC ACIDA,B,C,D1T0L0.75
ICTISOCITRIC ACIDA1PB10.75
ICTISOCITRIC ACIDA1GRP0.75
ICTISOCITRIC ACIDA1CW10.75
ICTISOCITRIC ACIDA,B,C,D,E,F2QFW0.75
ICTISOCITRIC ACIDA1B0J0.75
ICTISOCITRIC ACIDA1W7F0.75
ICTISOCITRIC ACIDA7ACN0.75
ICTISOCITRIC ACIDA1C970.75
ICTISOCITRIC ACIDA1P8F0.75
ICTISOCITRIC ACIDA2CSG0.75
KDG2-KETO-3-DEOXYGLUCONATEA,B1V1A0.72
KDG2-KETO-3-DEOXYGLUCONATEA,B,C2VAR0.72
KDG2-KETO-3-DEOXYGLUCONATEA,B,C,D2QJN0.72
LMR(2S)-2-hydroxybutanedioic acidA3CSC0.9
LMR(2S)-2-hydroxybutanedioic acidA,B2W980.9
LMR(2S)-2-hydroxybutanedioic acidA1CSC0.9
LMR(2S)-2-hydroxybutanedioic acidA,B3ES70.9
LMR(2S)-2-hydroxybutanedioic acidA,B,C,D,E,F,
G,H
3ES80.9
THETHREONATE IONA1XIJ0.88
3LR3,6-dideoxy-L-arabino-hexonic acidA,B3CXO0.71
XULD-XYLULOSEA3CWH0.76
XULD-XYLULOSEA1XII0.76
XULD-XYLULOSEA,B2ITM0.76
ITMISOCITRIC ACID-MAGNESIUM COMPLEXA1AI30.71
TLAL(+)-TARTARIC ACIDA,B,C1NXJ0.9
TLAL(+)-TARTARIC ACIDX3BIA0.9
TLAL(+)-TARTARIC ACIDA2CX10.9
TLAL(+)-TARTARIC ACIDA2CVE0.9
TLAL(+)-TARTARIC ACIDA2Q9H0.9
TLAL(+)-TARTARIC ACIDA,B1FS50.9
TLAL(+)-TARTARIC ACIDA,B,C,D2V9G0.9
TLAL(+)-TARTARIC ACIDA,B2Q5Q0.9
TLAL(+)-TARTARIC ACIDA,B,C,D,E,F,
G,H
3D460.9
TLAL(+)-TARTARIC ACIDX2A7I0.9
TLAL(+)-TARTARIC ACIDA2RCT0.9
TLAL(+)-TARTARIC ACIDA,B1V840.9
TLAL(+)-TARTARIC ACIDC,E,F,I,L2DXC0.9
TLAL(+)-TARTARIC ACIDA2PE70.9
TLAL(+)-TARTARIC ACIDA2JFW0.9
TLAL(+)-TARTARIC ACIDA1U7L0.9
TLAL(+)-TARTARIC ACIDA,B1VEC0.9
TLAL(+)-TARTARIC ACIDA,B,C,D3C2X0.9
TLAL(+)-TARTARIC ACIDA1Q1K0.9
TLAL(+)-TARTARIC ACIDA1VPD0.9
TLAL(+)-TARTARIC ACIDB1SMO0.9
TLAL(+)-TARTARIC ACIDA2DBP0.9
TLAL(+)-TARTARIC ACIDA1D5R0.9
TLAL(+)-TARTARIC ACIDA,B1SQS0.9
TLAL(+)-TARTARIC ACIDA2BLR0.9
TLAL(+)-TARTARIC ACIDA,B,C,D2DW60.9
TLAL(+)-TARTARIC ACIDA2GPT0.9
TLAL(+)-TARTARIC ACIDA,B,C,D,E,F,
G,H
3HZN0.9
TLAL(+)-TARTARIC ACIDA,B2D6Y0.9
TLAL(+)-TARTARIC ACIDA2O7S0.9
TLAL(+)-TARTARIC ACIDA,B3DC20.9
TLAL(+)-TARTARIC ACIDA,B,C,D3EZ00.9
TLAL(+)-TARTARIC ACIDA1LXZ0.9
TLAL(+)-TARTARIC ACIDA3E0A0.9
TLAL(+)-TARTARIC ACIDA3G0O0.9
TLAL(+)-TARTARIC ACIDA,B2O4C0.9
TLAL(+)-TARTARIC ACIDA1EKS0.9
TLAL(+)-TARTARIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1GU10.9
TLAL(+)-TARTARIC ACIDA,B3EKG0.9
TLAL(+)-TARTARIC ACIDA,B2Z8O0.9
TLAL(+)-TARTARIC ACIDA2GLA0.9
TLAL(+)-TARTARIC ACIDA,B2QT60.9
TLAL(+)-TARTARIC ACIDA3DZR0.9
TLAL(+)-TARTARIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
3CIQ0.9
TLAL(+)-TARTARIC ACIDA,C2EGZ0.9
TLAL(+)-TARTARIC ACIDA,B,C3C930.9
TLAL(+)-TARTARIC ACIDA2B200.9
TLAL(+)-TARTARIC ACIDA2RCQ0.9
TLAL(+)-TARTARIC ACIDA,B,C3CXA0.9
TLAL(+)-TARTARIC ACIDA1LR30.9
TLAL(+)-TARTARIC ACIDA1VBW0.9
TLAL(+)-TARTARIC ACIDA,B2H0V0.9
TLAL(+)-TARTARIC ACIDA,B,C,D2QJW0.9
TLAL(+)-TARTARIC ACIDA1D6J0.9
TLAL(+)-TARTARIC ACIDA3DZP0.9
TLAL(+)-TARTARIC ACIDA1LY00.9
TLAL(+)-TARTARIC ACIDA,B3DDN0.9
TLAL(+)-TARTARIC ACIDA3E3S0.9
TLAL(+)-TARTARIC ACIDA,B,C,D,E,F,
G,H
1S200.9
TLAL(+)-TARTARIC ACIDA2VI40.9
TLAL(+)-TARTARIC ACIDA1OHT0.9
TLAL(+)-TARTARIC ACIDA,B,C,D3GQY0.9
TLAL(+)-TARTARIC ACIDA,B3H6G0.9
TLAL(+)-TARTARIC ACIDA,B,C,D1XPJ0.9
TLAL(+)-TARTARIC ACIDA,B,C,D1EI60.9
TLAL(+)-TARTARIC ACIDA,B2B130.9
TLAL(+)-TARTARIC ACIDA3EKE0.9
TLAL(+)-TARTARIC ACIDA,B1ZL00.9
TLAL(+)-TARTARIC ACIDA,B,C,D2R2K0.9
TLAL(+)-TARTARIC ACIDA,B,C3CG90.9
TLAL(+)-TARTARIC ACIDA,B,C,D3GR40.9
TLAL(+)-TARTARIC ACIDA2RKU0.9
TLAL(+)-TARTARIC ACIDA2VI30.9
TLAL(+)-TARTARIC ACIDA,B1V830.9
TLAL(+)-TARTARIC ACIDA2WBO0.9
TLAL(+)-TARTARIC ACIDA,B2PYX0.9
TLAL(+)-TARTARIC ACIDA2VHR0.9
TLAL(+)-TARTARIC ACIDA1ALU0.9
TLAL(+)-TARTARIC ACIDA1LR20.9
TLAL(+)-TARTARIC ACIDA3DZN0.9
TLAL(+)-TARTARIC ACIDA,B,C,D1WQS0.9
TLAL(+)-TARTARIC ACIDA,B,C,D2UYV0.9
TLAL(+)-TARTARIC ACIDA1J2Z0.9
TLAL(+)-TARTARIC ACIDA,B3DME0.9
TLAL(+)-TARTARIC ACIDX1K2Y0.9
TLAL(+)-TARTARIC ACIDA1RQW0.9
TLAL(+)-TARTARIC ACIDA2BLU0.9
TLAL(+)-TARTARIC ACIDA,B2C1L0.9
TLAL(+)-TARTARIC ACIDA,B,C,D,E,F,
G,H,I,J
2C910.9
TLAL(+)-TARTARIC ACIDA,B,C3COR0.9
TLAL(+)-TARTARIC ACIDA2FX50.9
TLAL(+)-TARTARIC ACIDA1THW0.9
TLAL(+)-TARTARIC ACIDA2CZL0.9
TLAL(+)-TARTARIC ACIDA2VHK0.9
TLAL(+)-TARTARIC ACIDA1H3D0.9
TLAL(+)-TARTARIC ACIDA,B,C2Z9N0.9
TLAL(+)-TARTARIC ACIDA1V820.9