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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02123058

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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,B2FCT0.75
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,B2FCV0.75
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,B2FCU0.75
GTRGALACTURONIC ACIDA1KCD0.79
GTRGALACTURONIC ACIDA1KCC0.79
GTRGALACTURONIC ACIDA1N7Q0.79
IDSO2-SULFO-GLUCURONIC ACID11ZBA0.74
IDSO2-SULFO-GLUCURONIC ACIDA2HYV0.74
IDSO2-SULFO-GLUCURONIC ACIDA1BFC0.74
IDSO2-SULFO-GLUCURONIC ACIDA,B,C,D2VRA0.74
IDSO2-SULFO-GLUCURONIC ACIDH,I3B9F0.74
IDSO2-SULFO-GLUCURONIC ACIDB,C,D,E1E0O0.74
IDSO2-SULFO-GLUCURONIC ACIDA2HYU0.74
IDSO2-SULFO-GLUCURONIC ACIDA,B3DY00.74
IDSO2-SULFO-GLUCURONIC ACIDB2AXM0.74
IDSO2-SULFO-GLUCURONIC ACIDA,B1FQ90.74
IDSO2-SULFO-GLUCURONIC ACIDA1BFB0.74
IDSO2-SULFO-GLUCURONIC ACIDA,B1T8U0.74
IDSO2-SULFO-GLUCURONIC ACIDA,B1GMN0.74
IDSO2-SULFO-GLUCURONIC ACIDA1XT30.74
IDSO2-SULFO-GLUCURONIC ACIDA,B,C,D,E,F1AXM0.74
IDSO2-SULFO-GLUCURONIC ACIDA,B,C,D,E,F,
G,H
1GMO0.74
IDSO2-SULFO-GLUCURONIC ACIDA2ERM0.74
IDSO2-SULFO-GLUCURONIC ACIDB,D,F,H1XMN0.74
IDSO2-SULFO-GLUCURONIC ACIDA1HPN0.74
IDSO2-SULFO-GLUCURONIC ACIDA1G5N0.74
IDSO2-SULFO-GLUCURONIC ACID11QQP0.74
IDSO2-SULFO-GLUCURONIC ACIDA,B1RID0.74
149D-GALCTOPYRANOSYL-1-ONA,B,C,D1JZ50.72
149D-GALCTOPYRANOSYL-1-ONA,B,C,D3CZJ0.72
20SBETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-
ALPHA-D-GLUCOPYRANOSIDE
A,B2FAF0.75
20SBETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-
ALPHA-D-GLUCOPYRANOSIDE
A,B,C,D2FAH0.75
20SBETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL-
ALPHA-D-GLUCOPYRANOSIDE
A,B2QZY0.75
MGE(1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-
1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE
A,B,C,D,F,H,
K,L,T,V,Z
3A0H0.71
MGE(1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-
1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE
A,B,C,D,F,H,
I,K,L,M,T,V,X
2AXT0.71
MGE(1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-
1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE
A,B,C,D,E,H,
J,K,L,T,V,Z
3A0B0.71
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
M1E6X0.72
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A,B2E400.72
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A2VWG0.72
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A,B3EQO0.72
IDRL-IDURONIC ACIDA2V380.79
IDRL-IDURONIC ACIDA1HM20.79
IDRL-IDURONIC ACIDA2ERM0.79
MAVD-MANNURONIC ACIDA,B1J1N0.79
MAVD-MANNURONIC ACIDA1Y3P0.79
MAVD-MANNURONIC ACIDA,B,D2PYH0.79
MAVD-MANNURONIC ACIDA1Y3N0.79
MAVD-MANNURONIC ACIDA1HV60.79
IDX2-O-sulfo-alpha-L-gulopyranuronic acid11QQP0.74
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
2DCN0.74
KO1D-glycero-alpha-D-talo-oct-2-ulopyranosonic acidA,B2R230.77
LGUALPHA-L-GULURONATEA2ZAC0.79
LGUALPHA-L-GULURONATEA2ZAA0.79
LGUALPHA-L-GULURONATEA,B2QJR0.79
LGUALPHA-L-GULURONATEA2ZAB0.79
LGUALPHA-L-GULURONATEA,B1J1N0.79
LGUALPHA-L-GULURONATEA1Y3P0.79
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NST0.79
ADAALPHA-D-GALACTOPYRANURONIC ACIDA1GXO0.79
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2EWE0.79
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVH0.79
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O040.79
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTB0.79
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT90.79
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2NZM0.79
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B2Z8S0.79
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVJ0.79
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O0V0.79
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NSP0.79
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B3B8Y0.79
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT60.79
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O170.79
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTP0.79
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O1D0.79
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTQ0.79
KDG2-KETO-3-DEOXYGLUCONATEA,B1V1A0.71
KDG2-KETO-3-DEOXYGLUCONATEA,B,C2VAR0.71
KDG2-KETO-3-DEOXYGLUCONATEA,B,C,D2QJN0.71
DR4METHYL 9-(BETA-D-TALOPYRANOSYLOXY)NONANOATEA1ZJO0.73
DR4METHYL 9-(BETA-D-TALOPYRANOSYLOXY)NONANOATEA1ZJP0.73
LMG1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDEA,B,C,F,I,J,
K,L,M,X
1JB00.71
LMG1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDEA,B,C,D,E,F,
H,I,J,K,M,O,
T,V,Z
3BZ10.71
LMG1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDEA,B,C,D,L,R1Q900.71
LMG1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDEA,B,C,D,E,F,
H,I,J,K,L,M,
O,T,V,X,Z
3BZ20.71
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)
A1X1J0.78
AD0DIGALACTURONIC ACIDA,B2UVF0.81
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NST0.82
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NSP0.82
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NT90.82
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NTQ0.82
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NTP0.82
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NT60.82
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C1Q9W0.74
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DUV0.74
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUS0.74
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QJQ0.74
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9R0.74
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QFF0.74
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA2FCP0.74
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9Q0.74
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DV40.74
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3FXI0.74
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2R2B0.74
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1FCP0.74
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1FI10.74
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUU0.74
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9V0.74
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QFG0.74
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QKC0.74
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUR0.74
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2R1Y0.74
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9T0.74
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DV60.74
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2GRX0.74
KBG2-KETO-BETA-D-GLUCOSEA2F5V0.75
KBG2-KETO-BETA-D-GLUCOSEA1FQ70.75
GC44-DEOXY-D-GLUCURONIC ACIDA1I8Q0.76
GC44-DEOXY-D-GLUCURONIC ACIDA1C4S0.76
GC44-DEOXY-D-GLUCURONIC ACIDA1DBO0.76
IDU2-O-sulfo-beta-L-altropyranuronic acidA,B2BRS0.74
IDU2-O-sulfo-beta-L-altropyranuronic acidA,B1FQ90.74
LFC6-DEOXY-L-GALACTONIC ACIDA2HXU0.71
GU22,3-DI-O-METHYL-ALPHA-L-IDOPYRANURONIC ACIDA,B,D,I2B5T0.83
GU22,3-DI-O-METHYL-ALPHA-L-IDOPYRANURONIC ACIDH,I1TB60.83
BEMbeta-D-mannuronic acidA2ZAA0.79
BEMbeta-D-mannuronic acidA2ZAC0.79
BEMbeta-D-mannuronic acidA2ZAB0.79
BEMbeta-D-mannuronic acidA1Y3N0.79
BEMbeta-D-mannuronic acidA1Y3P0.79
BEMbeta-D-mannuronic acidA,B1J1N0.79
OSUN-OCTANOYLSUCROSEA1PYY0.75
TGUTRIGALACTURONIC ACIDA2V8K0.77
SHBmethyl beta-D-galactopyranuronateC,D2NTP0.82
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWG0.7
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWF0.7
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWH0.7
GU12,3-DI-O-METHYL-BETA-D-GLUCOPYRANURONIC ACIDH,I1TB60.83
GU12,3-DI-O-METHYL-BETA-D-GLUCOPYRANURONIC ACIDA,B,D,I2B5T0.83
2OS3-N-OCTANOYLSUCROSEA,B1T3I0.75
GC12,6-ANHYDRO-L-GULONIC ACIDA1HUA0.73
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1K9E0.8
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1V6X0.8
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1UQZ0.8
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1H410.8
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1K9F0.8
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1V6W0.8
GCW4-O-METHYL-BETA-D-GLUCURONIC ACIDA1L8N0.8
DG04-O-alpha-D-galactopyranuronosyl-
alpha-D-galactopyranuronic acid
A3DYB0.81
KDF3-deoxy-alpha-D-erythro-hex-2-ulofuranosonic acidA,B,C2VAR0.78
GCUD-GLUCURONIC ACIDA1HMW0.79
GCUD-GLUCURONIC ACIDA2JCQ0.79
GCUD-GLUCURONIC ACIDA3HYA0.79
GCUD-GLUCURONIC ACIDA,B2FUQ0.79
GCUD-GLUCURONIC ACIDA1DBG0.79
GCUD-GLUCURONIC ACIDA1FCV0.79
GCUD-GLUCURONIC ACIDA1OFM0.79
GCUD-GLUCURONIC ACIDA,B3E7J0.79
GCUD-GLUCURONIC ACIDA1CB80.79
GCUD-GLUCURONIC ACIDA1HV60.79
GCUD-GLUCURONIC ACIDA1HMU0.79
GCUD-GLUCURONIC ACIDA,B,C3E800.79
GCUD-GLUCURONIC ACIDA,B2VZR0.79
GCUD-GLUCURONIC ACIDA2HYA0.79
GCUD-GLUCURONIC ACIDA1OFL0.79
GCUD-GLUCURONIC ACIDA,B2W870.79
GCUD-GLUCURONIC ACIDA1MQQ0.79
GCUD-GLUCURONIC ACIDA1HM20.79
GCUD-GLUCURONIC ACIDA1HYA0.79
GCUD-GLUCURONIC ACIDA2C4S0.79
GCUD-GLUCURONIC ACIDA4HYA0.79
GCUD-GLUCURONIC ACIDA1C4S0.79
GCUD-GLUCURONIC ACIDA1HM30.79
GCUD-GLUCURONIC ACIDA1DBO0.79
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7R0.79
BDPBETA-D-GALACTOPYRANURONIC ACIDA3C9E0.79
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LOH0.79
BDPBETA-D-GALACTOPYRANURONIC ACIDA1CAP0.79
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HM30.79
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HUA0.79
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXK0.79
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQK0.79
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1ON80.79
BDPBETA-D-GALACTOPYRANURONIC ACIDP2BVK0.79
BDPBETA-D-GALACTOPYRANURONIC ACIDA2JCR0.79
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXM0.79
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HMW0.79
BDPBETA-D-GALACTOPYRANURONIC ACIDA3HYA0.79
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQL0.79
BDPBETA-D-GALACTOPYRANURONIC ACIDA1OFM0.79
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7Q0.79
KO2prop-2-en-1-yl D-glycero-alpha-
D-talo-oct-2-ulopyranosidonic acid
A,B2R2H0.72