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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01869801

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AD0DIGALACTURONIC ACIDA,B2UVF0.83
KBG2-KETO-BETA-D-GLUCOSEA2F5V0.72
KBG2-KETO-BETA-D-GLUCOSEA1FQ70.72
IDX2-O-sulfo-alpha-L-gulopyranuronic acid11QQP0.73
IDSO2-SULFO-GLUCURONIC ACID11ZBA0.73
IDSO2-SULFO-GLUCURONIC ACIDA2HYV0.73
IDSO2-SULFO-GLUCURONIC ACIDA1BFC0.73
IDSO2-SULFO-GLUCURONIC ACIDA,B,C,D2VRA0.73
IDSO2-SULFO-GLUCURONIC ACIDH,I3B9F0.73
IDSO2-SULFO-GLUCURONIC ACIDB,C,D,E1E0O0.73
IDSO2-SULFO-GLUCURONIC ACIDA2HYU0.73
IDSO2-SULFO-GLUCURONIC ACIDA,B3DY00.73
IDSO2-SULFO-GLUCURONIC ACIDB2AXM0.73
IDSO2-SULFO-GLUCURONIC ACIDA,B1FQ90.73
IDSO2-SULFO-GLUCURONIC ACIDA1BFB0.73
IDSO2-SULFO-GLUCURONIC ACIDA,B1T8U0.73
IDSO2-SULFO-GLUCURONIC ACIDA,B1GMN0.73
IDSO2-SULFO-GLUCURONIC ACIDA1XT30.73
IDSO2-SULFO-GLUCURONIC ACIDA,B,C,D,E,F1AXM0.73
IDSO2-SULFO-GLUCURONIC ACIDA,B,C,D,E,F,
G,H
1GMO0.73
IDSO2-SULFO-GLUCURONIC ACIDA2ERM0.73
IDSO2-SULFO-GLUCURONIC ACIDB,D,F,H1XMN0.73
IDSO2-SULFO-GLUCURONIC ACIDA1HPN0.73
IDSO2-SULFO-GLUCURONIC ACIDA1G5N0.73
IDSO2-SULFO-GLUCURONIC ACID11QQP0.73
IDSO2-SULFO-GLUCURONIC ACIDA,B1RID0.73
GCW4-O-METHYL-BETA-D-GLUCURONIC ACIDA1L8N0.77
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1K9E0.77
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1V6X0.77
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1UQZ0.77
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1H410.77
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1K9F0.77
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1V6W0.77
BEMbeta-D-mannuronic acidA2ZAA0.78
BEMbeta-D-mannuronic acidA2ZAC0.78
BEMbeta-D-mannuronic acidA2ZAB0.78
BEMbeta-D-mannuronic acidA1Y3N0.78
BEMbeta-D-mannuronic acidA1Y3P0.78
BEMbeta-D-mannuronic acidA,B1J1N0.78
KO1D-glycero-alpha-D-talo-oct-2-ulopyranosonic acidA,B2R230.72
DSU((2R,3S,4S,5S)-3,4-DIHYDROXY-5-
(HYDROXYMETHYL)-5-((2R,3S,4S,5S,6R)-
3,4,5-TRIHYDROXY-6-METHOXY-TETRAHYDRO-
2H-PYRAN-2-YLOXY)-TETRAHYDROFURAN-
2-YL)METHYL NONANOATE
A,B2FCT0.7
DSU((2R,3S,4S,5S)-3,4-DIHYDROXY-5-
(HYDROXYMETHYL)-5-((2R,3S,4S,5S,6R)-
3,4,5-TRIHYDROXY-6-METHOXY-TETRAHYDRO-
2H-PYRAN-2-YLOXY)-TETRAHYDROFURAN-
2-YL)METHYL NONANOATE
A,B2FCV0.7
DSU((2R,3S,4S,5S)-3,4-DIHYDROXY-5-
(HYDROXYMETHYL)-5-((2R,3S,4S,5S,6R)-
3,4,5-TRIHYDROXY-6-METHOXY-TETRAHYDRO-
2H-PYRAN-2-YLOXY)-TETRAHYDROFURAN-
2-YL)METHYL NONANOATE
A,B2FCU0.7
20SBETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-
ALPHA-D-GLUCOPYRANOSIDE
A,B2FAF0.7
20SBETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-
ALPHA-D-GLUCOPYRANOSIDE
A,B,C,D2FAH0.7
20SBETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-
ALPHA-D-GLUCOPYRANOSIDE
A,B2QZY0.7
GCUD-GLUCURONIC ACIDA1HMW0.78
GCUD-GLUCURONIC ACIDA2JCQ0.78
GCUD-GLUCURONIC ACIDA3HYA0.78
GCUD-GLUCURONIC ACIDA,B2FUQ0.78
GCUD-GLUCURONIC ACIDA1DBG0.78
GCUD-GLUCURONIC ACIDA1FCV0.78
GCUD-GLUCURONIC ACIDA1OFM0.78
GCUD-GLUCURONIC ACIDA,B3E7J0.78
GCUD-GLUCURONIC ACIDA1CB80.78
GCUD-GLUCURONIC ACIDA1HV60.78
GCUD-GLUCURONIC ACIDA1HMU0.78
GCUD-GLUCURONIC ACIDA,B,C3E800.78
GCUD-GLUCURONIC ACIDA,B2VZR0.78
GCUD-GLUCURONIC ACIDA2HYA0.78
GCUD-GLUCURONIC ACIDA1OFL0.78
GCUD-GLUCURONIC ACIDA,B2W870.78
GCUD-GLUCURONIC ACIDA1MQQ0.78
GCUD-GLUCURONIC ACIDA1HM20.78
GCUD-GLUCURONIC ACIDA1HYA0.78
GCUD-GLUCURONIC ACIDA2C4S0.78
GCUD-GLUCURONIC ACIDA4HYA0.78
GCUD-GLUCURONIC ACIDA1C4S0.78
GCUD-GLUCURONIC ACIDA1HM30.78
GCUD-GLUCURONIC ACIDA1DBO0.78
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7R0.78
BDPBETA-D-GALACTOPYRANURONIC ACIDA3C9E0.78
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LOH0.78
BDPBETA-D-GALACTOPYRANURONIC ACIDA1CAP0.78
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HM30.78
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HUA0.78
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXK0.78
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQK0.78
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1ON80.78
BDPBETA-D-GALACTOPYRANURONIC ACIDP2BVK0.78
BDPBETA-D-GALACTOPYRANURONIC ACIDA2JCR0.78
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXM0.78
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HMW0.78
BDPBETA-D-GALACTOPYRANURONIC ACIDA3HYA0.78
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQL0.78
BDPBETA-D-GALACTOPYRANURONIC ACIDA1OFM0.78
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7Q0.78
SHBmethyl beta-D-galactopyranuronateC,D2NTP0.78
NTPHEPARIN PENTASACCHARIDEI,L1NQ90.71
NTPHEPARIN PENTASACCHARIDEI,L1AZX0.71
NTPHEPARIN PENTASACCHARIDEI,L1E030.71
TGUTRIGALACTURONIC ACIDA2V8K0.83
2OS3-N-OCTANOYLSUCROSEA,B1T3I0.7
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NST0.78
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NSP0.78
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NT90.78
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NTQ0.78
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NTP0.78
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NT60.78
MAVD-MANNURONIC ACIDA,B1J1N0.78
MAVD-MANNURONIC ACIDA1Y3P0.78
MAVD-MANNURONIC ACIDA,B,D2PYH0.78
MAVD-MANNURONIC ACIDA1Y3N0.78
MAVD-MANNURONIC ACIDA1HV60.78
IDRL-IDURONIC ACIDA2V380.78
IDRL-IDURONIC ACIDA1HM20.78
IDRL-IDURONIC ACIDA2ERM0.78
DG04-O-alpha-D-galactopyranuronosyl-
alpha-D-galactopyranuronic acid
A3DYB0.83
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
M1E6X0.71
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A,B2E400.71
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A2VWG0.71
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A,B3EQO0.71
149D-GALCTOPYRANOSYL-1-ONA,B,C,D1JZ50.71
149D-GALCTOPYRANOSYL-1-ONA,B,C,D3CZJ0.71
IDU2-O-sulfo-beta-L-altropyranuronic acidA,B2BRS0.73
IDU2-O-sulfo-beta-L-altropyranuronic acidA,B1FQ90.73
GTRGALACTURONIC ACIDA1KCD0.78
GTRGALACTURONIC ACIDA1KCC0.78
GTRGALACTURONIC ACIDA1N7Q0.78
GC44-DEOXY-D-GLUCURONIC ACIDA1I8Q0.75
GC44-DEOXY-D-GLUCURONIC ACIDA1C4S0.75
GC44-DEOXY-D-GLUCURONIC ACIDA1DBO0.75
KDF3-deoxy-alpha-D-erythro-hex-2-ulofuranosonic acidA,B,C2VAR0.73
GU22,3-DI-O-METHYL-ALPHA-L-IDOPYRANURONIC ACIDA,B,D,I2B5T0.8
GU22,3-DI-O-METHYL-ALPHA-L-IDOPYRANURONIC ACIDH,I1TB60.8
46D(4AR,6R,7S,8R,8AR)-8-((5R,6R)-3-
CARBOXY-TETRAHYDRO-4,5,6-TRIHYDROXY-
2H-PYRAN-2-YLOXY)-HEXAHYDRO-6,7-
DIHYDROXY-2-METHYLPYRANO[3,2-D][1,3]DIOXINE-
2-CARBOXYLIC ACID)
A1X1J0.8
OSUN-OCTANOYLSUCROSEA1PYY0.7
GC12,6-ANHYDRO-L-GULONIC ACIDA1HUA0.73
GU12,3-DI-O-METHYL-BETA-D-GLUCOPYRANURONIC ACIDH,I1TB60.8
GU12,3-DI-O-METHYL-BETA-D-GLUCOPYRANURONIC ACIDA,B,D,I2B5T0.8
LGUALPHA-L-GULURONATEA2ZAC0.78
LGUALPHA-L-GULURONATEA2ZAA0.78
LGUALPHA-L-GULURONATEA,B2QJR0.78
LGUALPHA-L-GULURONATEA2ZAB0.78
LGUALPHA-L-GULURONATEA,B1J1N0.78
LGUALPHA-L-GULURONATEA1Y3P0.78
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NST0.78
ADAALPHA-D-GALACTOPYRANURONIC ACIDA1GXO0.78
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2EWE0.78
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVH0.78
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O040.78
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTB0.78
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT90.78
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2NZM0.78
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B2Z8S0.78
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVJ0.78
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O0V0.78
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NSP0.78
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B3B8Y0.78
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT60.78
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O170.78
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTP0.78
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O1D0.78
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTQ0.78