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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02742276

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BEMbeta-D-mannuronic acidA2ZAA0.72
BEMbeta-D-mannuronic acidA2ZAC0.72
BEMbeta-D-mannuronic acidA2ZAB0.72
BEMbeta-D-mannuronic acidA1Y3N0.72
BEMbeta-D-mannuronic acidA1Y3P0.72
BEMbeta-D-mannuronic acidA,B1J1N0.72
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1K9E0.7
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1V6X0.7
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1UQZ0.7
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1H410.7
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1K9F0.7
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1V6W0.7
GCW4-O-METHYL-BETA-D-GLUCURONIC ACIDA1L8N0.7
CS2D-MANNONIC ACIDA,B,C,D2QJM0.75
CS2D-MANNONIC ACIDA,B3DBN0.75
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE		M1E6X0.78
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE		A,B2E400.78
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE		A2VWG0.78
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE		A,B3EQO0.78
XLSD-XYLOSE (LINEAR FORM)A,B2QW50.72
XLSD-XYLOSE (LINEAR FORM)A2BRP0.72
XLSD-XYLOSE (LINEAR FORM)A3XIS0.72
XLSD-XYLOSE (LINEAR FORM)A,B,C,D8XIM0.72
XLSD-XYLOSE (LINEAR FORM)A4XIS0.72
XLSD-XYLOSE (LINEAR FORM)A,B,C,D9XIM0.72
XLSD-XYLOSE (LINEAR FORM)A,B,C,D5XIN0.72
XLSD-XYLOSE (LINEAR FORM)A8XIA0.72
XLSD-XYLOSE (LINEAR FORM)A,B,C,D6XIM0.72
XLSD-XYLOSE (LINEAR FORM)A1XIC0.72
149D-GALCTOPYRANOSYL-1-ONA,B,C,D1JZ50.78
149D-GALCTOPYRANOSYL-1-ONA,B,C,D3CZJ0.78
RSH3-DEOXY-D-LYXO-HEXONIC ACIDA,B,C,D1W3T0.72
GKRD-GLUCARATEA3CXT0.74
GKRD-GLUCARATEA,B1JCT0.74
3MF3-O-METHYLFRUCTOSE IN LINEAR FORMA,B1XYC0.72
PA55-PHOSPHOARABINONIC ACIDA1NUH0.73
PA55-PHOSPHOARABINONIC ACIDA1X820.73
PA55-PHOSPHOARABINONIC ACIDA,B1QXR0.73
PA55-PHOSPHOARABINONIC ACIDA,B1G980.73
PA55-PHOSPHOARABINONIC ACIDA,B1TZC0.73
PA55-PHOSPHOARABINONIC ACIDA1GZV0.73
PA55-PHOSPHOARABINONIC ACIDA1X7N0.73
PA55-PHOSPHOARABINONIC ACIDA1C7R0.73
RB3(1R)-3-{[(1R)-3-METHOXY-1-METHYL-
3-OXOPROPYL]OXY}-1-METHYL-3-OXOPROPYL (3R)-
3-HYDROXYBUTANOATE		A2D810.71
MEV(R)-MEVALONATEA,B1QAY0.72
MEV(R)-MEVALONATEA2HFU0.72
MEV(R)-MEVALONATEA,B1R310.72
GCOGLUCONIC ACIDB,C,D1BGG0.75
GCOGLUCONIC ACIDA,B1XLF0.75
GCUD-GLUCURONIC ACIDA1HMW0.72
GCUD-GLUCURONIC ACIDA2JCQ0.72
GCUD-GLUCURONIC ACIDA3HYA0.72
GCUD-GLUCURONIC ACIDA,B2FUQ0.72
GCUD-GLUCURONIC ACIDA1DBG0.72
GCUD-GLUCURONIC ACIDA1FCV0.72
GCUD-GLUCURONIC ACIDA1OFM0.72
GCUD-GLUCURONIC ACIDA,B3E7J0.72
GCUD-GLUCURONIC ACIDA1CB80.72
GCUD-GLUCURONIC ACIDA1HV60.72
GCUD-GLUCURONIC ACIDA1HMU0.72
GCUD-GLUCURONIC ACIDA,B,C3E800.72
GCUD-GLUCURONIC ACIDA,B2VZR0.72
GCUD-GLUCURONIC ACIDA2HYA0.72
GCUD-GLUCURONIC ACIDA1OFL0.72
GCUD-GLUCURONIC ACIDA,B2W870.72
GCUD-GLUCURONIC ACIDA1MQQ0.72
GCUD-GLUCURONIC ACIDA1HM20.72
GCUD-GLUCURONIC ACIDA1HYA0.72
GCUD-GLUCURONIC ACIDA2C4S0.72
GCUD-GLUCURONIC ACIDA4HYA0.72
GCUD-GLUCURONIC ACIDA1C4S0.72
GCUD-GLUCURONIC ACIDA1HM30.72
GCUD-GLUCURONIC ACIDA1DBO0.72
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7R0.72
BDPBETA-D-GALACTOPYRANURONIC ACIDA3C9E0.72
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LOH0.72
BDPBETA-D-GALACTOPYRANURONIC ACIDA1CAP0.72
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HM30.72
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HUA0.72
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXK0.72
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQK0.72
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1ON80.72
BDPBETA-D-GALACTOPYRANURONIC ACIDP2BVK0.72
BDPBETA-D-GALACTOPYRANURONIC ACIDA2JCR0.72
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXM0.72
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HMW0.72
BDPBETA-D-GALACTOPYRANURONIC ACIDA3HYA0.72
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQL0.72
BDPBETA-D-GALACTOPYRANURONIC ACIDA1OFM0.72
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7Q0.72
3LR3,6-dideoxy-L-arabino-hexonic acidA,B3CXO0.7
DMV2,3-DIHYDROXY-VALERIANIC ACIDA,B,C,D1QMG0.71
ITMISOCITRIC ACID-MAGNESIUM COMPLEXA1AI30.7
LFC6-DEOXY-L-GALACTONIC ACIDA2HXU0.74
SSH3-DEOXY-D-ARABINO-HEXONIC ACIDA,B,C,D1W3N0.72
DXG4-DEOXYGLUCARATEA,B,C,D1ECQ0.75
LGTL-GLUCARIC ACIDA,B,C,D3CB30.74
LGTL-GLUCARIC ACIDA,B,C2PP30.74
GTRGALACTURONIC ACIDA1KCD0.72
GTRGALACTURONIC ACIDA1KCC0.72
GTRGALACTURONIC ACIDA1N7Q0.72
KDG2-KETO-3-DEOXYGLUCONATEA,B1V1A0.74
KDG2-KETO-3-DEOXYGLUCONATEA,B,C2VAR0.74
KDG2-KETO-3-DEOXYGLUCONATEA,B,C,D2QJN0.74
MAVD-MANNURONIC ACIDA,B1J1N0.72
MAVD-MANNURONIC ACIDA1Y3P0.72
MAVD-MANNURONIC ACIDA,B,D2PYH0.72
MAVD-MANNURONIC ACIDA1Y3N0.72
MAVD-MANNURONIC ACIDA1HV60.72
IDRL-IDURONIC ACIDA2V380.72
IDRL-IDURONIC ACIDA1HM20.72
IDRL-IDURONIC ACIDA2ERM0.72
CKP(2R,3R,4S,5R)-2,3,4-TRIHYDROXY-
5-[(PHOSPHONATOOXY)METHYL]TETRAHYDROFURAN-
2-CARBOXYLIC ACID		A,B,C,D,E,F,
G,H,I,J,K,L		2DCN0.71
GC12,6-ANHYDRO-L-GULONIC ACIDA1HUA0.77
ICAISOCITRATE CALCIUM COMPLEXA1AI20.7
3HG3-HYDROXYPENTANEDIOIC ACIDA,B,C,D,E,F2CW60.8
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NST0.72
ADAALPHA-D-GALACTOPYRANURONIC ACIDA1GXO0.72
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2EWE0.72
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVH0.72
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O040.72
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTB0.72
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT90.72
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2NZM0.72
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B2Z8S0.72
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVJ0.72
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O0V0.72
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NSP0.72
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B3B8Y0.72
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT60.72
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O170.72
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTP0.72
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O1D0.72
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTQ0.72
LGUALPHA-L-GULURONATEA2ZAC0.72
LGUALPHA-L-GULURONATEA2ZAA0.72
LGUALPHA-L-GULURONATEA,B2QJR0.72
LGUALPHA-L-GULURONATEA2ZAB0.72
LGUALPHA-L-GULURONATEA,B1J1N0.72
LGUALPHA-L-GULURONATEA1Y3P0.72
KDF3-deoxy-alpha-D-erythro-hex-2-ulofuranosonic acidA,B,C2VAR0.77
TFBTETRAHYDROFURAN-2-CARBOXYLIC ACIDA1TIW0.81
TFBTETRAHYDROFURAN-2-CARBOXYLIC ACIDA3E2R0.81
TFBTETRAHYDROFURAN-2-CARBOXYLIC ACIDA1KB00.81
XLFbeta-D-xylulofuranoseA,B3CTP0.71
R105-O-phosphono-D-ribonic acidA,B,C,D,E2VVQ0.73
FUDD-fructoseA,B,C,D2QUN0.71
ICTISOCITRIC ACIDA1IDE0.74
ICTISOCITRIC ACIDA,B2UXR0.74
ICTISOCITRIC ACIDA,B1XKD0.74
ICTISOCITRIC ACIDA8ICD0.74
ICTISOCITRIC ACIDA,B,D1XG40.74
ICTISOCITRIC ACIDA1CW70.74
ICTISOCITRIC ACIDA1GRO0.74
ICTISOCITRIC ACIDA1W8G0.74
ICTISOCITRIC ACIDA5ICD0.74
ICTISOCITRIC ACIDA,B1LWD0.74
ICTISOCITRIC ACIDA,B,C,D1ITW0.74
ICTISOCITRIC ACIDA,B,C,D1T0L0.74
ICTISOCITRIC ACIDA1PB10.74
ICTISOCITRIC ACIDA1GRP0.74
ICTISOCITRIC ACIDA1CW10.74
ICTISOCITRIC ACIDA,B,C,D,E,F2QFW0.74
ICTISOCITRIC ACIDA1B0J0.74
ICTISOCITRIC ACIDA1W7F0.74
ICTISOCITRIC ACIDA7ACN0.74
ICTISOCITRIC ACIDA1C970.74
ICTISOCITRIC ACIDA1P8F0.74
ICTISOCITRIC ACIDA2CSG0.74
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID		A1RWG0.73
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID		A1RWF0.73
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID		A1RWH0.73
TAGD-tagatoseA,B,C,D2QUM0.71
XULD-XYLULOSEA3CWH0.71
XULD-XYLULOSEA1XII0.71
XULD-XYLULOSEA,B2ITM0.71
THETHREONATE IONA1XIJ0.71