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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02391277

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2OS3-N-OCTANOYLSUCROSEA,B1T3I0.71
CEG4,6-O-(1-CARBOXYETHYLIDENE)-BETA-
D-GLUCOSE		A1CAP0.74
CEG4,6-O-(1-CARBOXYETHYLIDENE)-BETA-
D-GLUCOSE		A1J0N0.74
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)		A1X1J0.84
LGUALPHA-L-GULURONATEA2ZAC0.83
LGUALPHA-L-GULURONATEA2ZAA0.83
LGUALPHA-L-GULURONATEA,B2QJR0.83
LGUALPHA-L-GULURONATEA2ZAB0.83
LGUALPHA-L-GULURONATEA,B1J1N0.83
LGUALPHA-L-GULURONATEA1Y3P0.83
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NST0.83
ADAALPHA-D-GALACTOPYRANURONIC ACIDA1GXO0.83
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2EWE0.83
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVH0.83
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O040.83
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTB0.83
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT90.83
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2NZM0.83
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B2Z8S0.83
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVJ0.83
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O0V0.83
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NSP0.83
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B3B8Y0.83
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT60.83
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O170.83
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTP0.83
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O1D0.83
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTQ0.83
GC44-DEOXY-D-GLUCURONIC ACIDA1I8Q0.8
GC44-DEOXY-D-GLUCURONIC ACIDA1C4S0.8
GC44-DEOXY-D-GLUCURONIC ACIDA1DBO0.8
IN1PROPIONIC ACID 2,2-DIHYDROXY-3-
(1-GLUCOPYRANOSYLOXY)-METHYLPROPYL ESTER		A,B4OVW0.75
KDA(3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID)-
2-O-ALLYL		A,B2R1X0.7
KDA(3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID)-
2-O-ALLYL		A,B2R2B0.7
KDA(3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID)-
2-O-ALLYL		A,B1Q9Q0.7
KDA(3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID)-
2-O-ALLYL		A,B2R230.7
KDA(3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID)-
2-O-ALLYL		A,B1Q9T0.7
KDA(3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID)-
2-O-ALLYL		A,B3BPC0.7
KDA(3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID)-
2-O-ALLYL		A,B1Q9R0.7
KDA(3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID)-
2-O-ALLYL		A,B2R1W0.7
KDEprop-2-en-1-yl 3-deoxy-beta-L-gulo-
oct-2-ulopyranosidonic acid		A2R2E0.7
GTRGALACTURONIC ACIDA1KCD0.83
GTRGALACTURONIC ACIDA1KCC0.83
GTRGALACTURONIC ACIDA1N7Q0.83
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C1Q9W0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DUV0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUS0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QJQ0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9R0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QFF0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA2FCP0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9Q0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DV40.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3FXI0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2R2B0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1FCP0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1FI10.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUU0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9V0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QFG0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QKC0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUR0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2R1Y0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9T0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DV60.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2GRX0.75
DR4METHYL 9-(BETA-D-TALOPYRANOSYLOXY)NONANOATEA1ZJO0.74
DR4METHYL 9-(BETA-D-TALOPYRANOSYLOXY)NONANOATEA1ZJP0.74
SHBmethyl beta-D-galactopyranuronateC,D2NTP0.86
OSUN-OCTANOYLSUCROSEA1PYY0.71
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE		M1E6X0.75
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE		A,B2E400.75
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE		A2VWG0.75
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE		A,B3EQO0.75
FKD2,6-ANHYDRO-3-DEOXY-3-FLUORO-L-
ARABINO-D-GALACTO-NONONIC ACID		A2AGS0.7
IDU2-O-sulfo-beta-L-altropyranuronic acidA,B2BRS0.79
IDU2-O-sulfo-beta-L-altropyranuronic acidA,B1FQ90.79
149D-GALCTOPYRANOSYL-1-ONA,B,C,D1JZ50.75
149D-GALCTOPYRANOSYL-1-ONA,B,C,D3CZJ0.75
KDF3-deoxy-alpha-D-erythro-hex-2-ulofuranosonic acidA,B,C2VAR0.71
IDRL-IDURONIC ACIDA2V380.83
IDRL-IDURONIC ACIDA1HM20.83
IDRL-IDURONIC ACIDA2ERM0.83
MAVD-MANNURONIC ACIDA,B1J1N0.83
MAVD-MANNURONIC ACIDA1Y3P0.83
MAVD-MANNURONIC ACIDA,B,D2PYH0.83
MAVD-MANNURONIC ACIDA1Y3N0.83
MAVD-MANNURONIC ACIDA1HV60.83
GCW4-O-METHYL-BETA-D-GLUCURONIC ACIDA1L8N0.84
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1K9E0.84
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1V6X0.84
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1UQZ0.84
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1H410.84
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1K9F0.84
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1V6W0.84
KBG2-KETO-BETA-D-GLUCOSEA2F5V0.75
KBG2-KETO-BETA-D-GLUCOSEA1FQ70.75
AD0DIGALACTURONIC ACIDA,B2UVF0.88
TGUTRIGALACTURONIC ACIDA2V8K0.83
KO1D-glycero-alpha-D-talo-oct-2-ulopyranosonic acidA,B2R230.78
CDGMETHYL 4,6-O-[(1R)-1-CARBOXYETHYLIDENE]-
BETA-D-GALACTOPYRANOSIDE		A,B,C,D,E1GYK0.75
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NST0.86
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NSP0.86
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NT90.86
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NTQ0.86
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NTP0.86
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NT60.86
KO2prop-2-en-1-yl D-glycero-alpha-
D-talo-oct-2-ulopyranosidonic acid		A,B2R2H0.73
MGE(1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-
1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE		A,B,C,D,F,H,
K,L,T,V,Z		3A0H0.72
MGE(1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-
1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE		A,B,C,D,F,H,
I,K,L,M,T,V,X		2AXT0.72
MGE(1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-
1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE		A,B,C,D,E,H,
J,K,L,T,V,Z		3A0B0.72
GCUD-GLUCURONIC ACIDA1HMW0.83
GCUD-GLUCURONIC ACIDA2JCQ0.83
GCUD-GLUCURONIC ACIDA3HYA0.83
GCUD-GLUCURONIC ACIDA,B2FUQ0.83
GCUD-GLUCURONIC ACIDA1DBG0.83
GCUD-GLUCURONIC ACIDA1FCV0.83
GCUD-GLUCURONIC ACIDA1OFM0.83
GCUD-GLUCURONIC ACIDA,B3E7J0.83
GCUD-GLUCURONIC ACIDA1CB80.83
GCUD-GLUCURONIC ACIDA1HV60.83
GCUD-GLUCURONIC ACIDA1HMU0.83
GCUD-GLUCURONIC ACIDA,B,C3E800.83
GCUD-GLUCURONIC ACIDA,B2VZR0.83
GCUD-GLUCURONIC ACIDA2HYA0.83
GCUD-GLUCURONIC ACIDA1OFL0.83
GCUD-GLUCURONIC ACIDA,B2W870.83
GCUD-GLUCURONIC ACIDA1MQQ0.83
GCUD-GLUCURONIC ACIDA1HM20.83
GCUD-GLUCURONIC ACIDA1HYA0.83
GCUD-GLUCURONIC ACIDA2C4S0.83
GCUD-GLUCURONIC ACIDA4HYA0.83
GCUD-GLUCURONIC ACIDA1C4S0.83
GCUD-GLUCURONIC ACIDA1HM30.83
GCUD-GLUCURONIC ACIDA1DBO0.83
GU12,3-DI-O-METHYL-BETA-D-GLUCOPYRANURONIC ACIDH,I1TB60.88
GU12,3-DI-O-METHYL-BETA-D-GLUCOPYRANURONIC ACIDA,B,D,I2B5T0.88
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7R0.83
BDPBETA-D-GALACTOPYRANURONIC ACIDA3C9E0.83
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LOH0.83
BDPBETA-D-GALACTOPYRANURONIC ACIDA1CAP0.83
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HM30.83
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HUA0.83
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXK0.83
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQK0.83
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1ON80.83
BDPBETA-D-GALACTOPYRANURONIC ACIDP2BVK0.83
BDPBETA-D-GALACTOPYRANURONIC ACIDA2JCR0.83
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXM0.83
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HMW0.83
BDPBETA-D-GALACTOPYRANURONIC ACIDA3HYA0.83
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQL0.83
BDPBETA-D-GALACTOPYRANURONIC ACIDA1OFM0.83
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7Q0.83
GC12,6-ANHYDRO-L-GULONIC ACIDA1HUA0.77
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,B2FCT0.71
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,B2FCV0.71
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,B2FCU0.71
20SBETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-
ALPHA-D-GLUCOPYRANOSIDE		A,B2FAF0.71
20SBETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-
ALPHA-D-GLUCOPYRANOSIDE		A,B,C,D2FAH0.71
20SBETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-
ALPHA-D-GLUCOPYRANOSIDE		A,B2QZY0.71
LMG1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDEA,B,C,F,I,J,
K,L,M,X		1JB00.72
LMG1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDEA,B,C,D,E,F,
H,I,J,K,M,O,
T,V,Z		3BZ10.72
LMG1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDEA,B,C,D,L,R1Q900.72
LMG1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDEA,B,C,D,E,F,
H,I,J,K,L,M,
O,T,V,X,Z		3BZ20.72
IDSO2-SULFO-GLUCURONIC ACID11ZBA0.79
IDSO2-SULFO-GLUCURONIC ACIDA2HYV0.79
IDSO2-SULFO-GLUCURONIC ACIDA1BFC0.79
IDSO2-SULFO-GLUCURONIC ACIDA,B,C,D2VRA0.79
IDSO2-SULFO-GLUCURONIC ACIDH,I3B9F0.79
IDSO2-SULFO-GLUCURONIC ACIDB,C,D,E1E0O0.79
IDSO2-SULFO-GLUCURONIC ACIDA2HYU0.79
IDSO2-SULFO-GLUCURONIC ACIDA,B3DY00.79
IDSO2-SULFO-GLUCURONIC ACIDB2AXM0.79
IDSO2-SULFO-GLUCURONIC ACIDA,B1FQ90.79
IDSO2-SULFO-GLUCURONIC ACIDA1BFB0.79
IDSO2-SULFO-GLUCURONIC ACIDA,B1T8U0.79
IDSO2-SULFO-GLUCURONIC ACIDA,B1GMN0.79
IDSO2-SULFO-GLUCURONIC ACIDA1XT30.79
IDSO2-SULFO-GLUCURONIC ACIDA,B,C,D,E,F1AXM0.79
IDSO2-SULFO-GLUCURONIC ACIDA,B,C,D,E,F,
G,H		1GMO0.79
IDSO2-SULFO-GLUCURONIC ACIDA2ERM0.79
IDSO2-SULFO-GLUCURONIC ACIDB,D,F,H1XMN0.79
IDSO2-SULFO-GLUCURONIC ACIDA1HPN0.79
IDSO2-SULFO-GLUCURONIC ACIDA1G5N0.79
IDSO2-SULFO-GLUCURONIC ACID11QQP0.79
IDSO2-SULFO-GLUCURONIC ACIDA,B1RID0.79
BEMbeta-D-mannuronic acidA2ZAA0.83
BEMbeta-D-mannuronic acidA2ZAC0.83
BEMbeta-D-mannuronic acidA2ZAB0.83
BEMbeta-D-mannuronic acidA1Y3N0.83
BEMbeta-D-mannuronic acidA1Y3P0.83
BEMbeta-D-mannuronic acidA,B1J1N0.83
NTPHEPARIN PENTASACCHARIDEI,L1NQ90.72
NTPHEPARIN PENTASACCHARIDEI,L1AZX0.72
NTPHEPARIN PENTASACCHARIDEI,L1E030.72
IDX2-O-sulfo-alpha-L-gulopyranuronic acid11QQP0.79
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
DG04-O-alpha-D-galactopyranuronosyl-
alpha-D-galactopyranuronic acid		A3DYB0.88
46M(4AR,6R,7S,8R,8AS)-HEXAHYDRO-6,7,8-
TRIHYDROXY-2-METHYLPYRANO[3,2-D][1,3]DIOXINE-
2-CARBOXYLIC ACID		A1X1I0.74
GU22,3-DI-O-METHYL-ALPHA-L-IDOPYRANURONIC ACIDA,B,D,I2B5T0.88
GU22,3-DI-O-METHYL-ALPHA-L-IDOPYRANURONIC ACIDH,I1TB60.88