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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02435090

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CEG4,6-O-(1-CARBOXYETHYLIDENE)-BETA-
D-GLUCOSE		A1CAP0.84
CEG4,6-O-(1-CARBOXYETHYLIDENE)-BETA-
D-GLUCOSE		A1J0N0.84
GC44-DEOXY-D-GLUCURONIC ACIDA1I8Q0.82
GC44-DEOXY-D-GLUCURONIC ACIDA1C4S0.82
GC44-DEOXY-D-GLUCURONIC ACIDA1DBO0.82
GCW4-O-METHYL-BETA-D-GLUCURONIC ACIDA1L8N0.86
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		2DCN0.72
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7R0.85
BDPBETA-D-GALACTOPYRANURONIC ACIDA3C9E0.85
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LOH0.85
BDPBETA-D-GALACTOPYRANURONIC ACIDA1CAP0.85
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HM30.85
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HUA0.85
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXK0.85
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQK0.85
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1ON80.85
BDPBETA-D-GALACTOPYRANURONIC ACIDP2BVK0.85
BDPBETA-D-GALACTOPYRANURONIC ACIDA2JCR0.85
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXM0.85
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HMW0.85
BDPBETA-D-GALACTOPYRANURONIC ACIDA3HYA0.85
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQL0.85
BDPBETA-D-GALACTOPYRANURONIC ACIDA1OFM0.85
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7Q0.85
CS2D-MANNONIC ACIDA,B,C,D2QJM0.75
CS2D-MANNONIC ACIDA,B3DBN0.75
GCUD-GLUCURONIC ACIDA1HMW0.85
GCUD-GLUCURONIC ACIDA2JCQ0.85
GCUD-GLUCURONIC ACIDA3HYA0.85
GCUD-GLUCURONIC ACIDA,B2FUQ0.85
GCUD-GLUCURONIC ACIDA1DBG0.85
GCUD-GLUCURONIC ACIDA1FCV0.85
GCUD-GLUCURONIC ACIDA1OFM0.85
GCUD-GLUCURONIC ACIDA,B3E7J0.85
GCUD-GLUCURONIC ACIDA1CB80.85
GCUD-GLUCURONIC ACIDA1HV60.85
GCUD-GLUCURONIC ACIDA1HMU0.85
GCUD-GLUCURONIC ACIDA,B,C3E800.85
GCUD-GLUCURONIC ACIDA,B2VZR0.85
GCUD-GLUCURONIC ACIDA2HYA0.85
GCUD-GLUCURONIC ACIDA1OFL0.85
GCUD-GLUCURONIC ACIDA,B2W870.85
GCUD-GLUCURONIC ACIDA1MQQ0.85
GCUD-GLUCURONIC ACIDA1HM20.85
GCUD-GLUCURONIC ACIDA1HYA0.85
GCUD-GLUCURONIC ACIDA2C4S0.85
GCUD-GLUCURONIC ACIDA4HYA0.85
GCUD-GLUCURONIC ACIDA1C4S0.85
GCUD-GLUCURONIC ACIDA1HM30.85
GCUD-GLUCURONIC ACIDA1DBO0.85
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1K9E0.86
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1V6X0.86
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1UQZ0.86
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1H410.86
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1K9F0.86
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1V6W0.86
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NST0.88
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NSP0.88
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NT90.88
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NTQ0.88
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NTP0.88
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NT60.88
3LR3,6-dideoxy-L-arabino-hexonic acidA,B3CXO0.73
KBG2-KETO-BETA-D-GLUCOSEA2F5V0.78
KBG2-KETO-BETA-D-GLUCOSEA1FQ70.78
CDGMETHYL 4,6-O-[(1R)-1-CARBOXYETHYLIDENE]-
BETA-D-GALACTOPYRANOSIDE		A,B,C,D,E1GYK0.82
RSH3-DEOXY-D-LYXO-HEXONIC ACIDA,B,C,D1W3T0.72
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
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C1Q9W0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DUV0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUS0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QJQ0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9R0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QFF0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA2FCP0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9Q0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DV40.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3FXI0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2R2B0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1FCP0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1FI10.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUU0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9V0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QFG0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QKC0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUR0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2R1Y0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9T0.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DV60.77
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2GRX0.77
AD0DIGALACTURONIC ACIDA,B2UVF0.9
GU22,3-DI-O-METHYL-ALPHA-L-IDOPYRANURONIC ACIDA,B,D,I2B5T0.89
GU22,3-DI-O-METHYL-ALPHA-L-IDOPYRANURONIC ACIDH,I1TB60.89
LFC6-DEOXY-L-GALACTONIC ACIDA2HXU0.77
GKRD-GLUCARATEA3CXT0.74
GKRD-GLUCARATEA,B1JCT0.74
IN1PROPIONIC ACID 2,2-DIHYDROXY-3-
(1-GLUCOPYRANOSYLOXY)-METHYLPROPYL ESTER		A,B4OVW0.72
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)		A1X1J0.91
3MF3-O-METHYLFRUCTOSE IN LINEAR FORMA,B1XYC0.72
IDU2-O-sulfo-beta-L-altropyranuronic acidA,B2BRS0.79
IDU2-O-sulfo-beta-L-altropyranuronic acidA,B1FQ90.79
DO83-DEOXY-D-MANNO-2-OCTULOSONATE-
8-PHOSPHATE		A1X6U0.71
FKD2,6-ANHYDRO-3-DEOXY-3-FLUORO-L-
ARABINO-D-GALACTO-NONONIC ACID		A2AGS0.72
BEMbeta-D-mannuronic acidA2ZAA0.85
BEMbeta-D-mannuronic acidA2ZAC0.85
BEMbeta-D-mannuronic acidA2ZAB0.85
BEMbeta-D-mannuronic acidA1Y3N0.85
BEMbeta-D-mannuronic acidA1Y3P0.85
BEMbeta-D-mannuronic acidA,B1J1N0.85
GCOGLUCONIC ACIDB,C,D1BGG0.75
GCOGLUCONIC ACIDA,B1XLF0.75
KDF3-deoxy-alpha-D-erythro-hex-2-ulofuranosonic acidA,B,C2VAR0.76
GU12,3-DI-O-METHYL-BETA-D-GLUCOPYRANURONIC ACIDH,I1TB60.89
GU12,3-DI-O-METHYL-BETA-D-GLUCOPYRANURONIC ACIDA,B,D,I2B5T0.89
GC12,6-ANHYDRO-L-GULONIC ACIDA1HUA0.82
SSH3-DEOXY-D-ARABINO-HEXONIC ACIDA,B,C,D1W3N0.72
DXG4-DEOXYGLUCARATEA,B,C,D1ECQ0.75
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1EC80.7
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1JDF0.7
LGTL-GLUCARIC ACIDA,B,C,D3CB30.74
LGTL-GLUCARIC ACIDA,B,C2PP30.74
KO2prop-2-en-1-yl D-glycero-alpha-
D-talo-oct-2-ulopyranosidonic acid		A,B2R2H0.73
KDG2-KETO-3-DEOXYGLUCONATEA,B1V1A0.74
KDG2-KETO-3-DEOXYGLUCONATEA,B,C2VAR0.74
KDG2-KETO-3-DEOXYGLUCONATEA,B,C,D2QJN0.74
DGDDIGALACTOSYL DIACYL GLYCEROL (DGDG)A2C9E0.72
DGDDIGALACTOSYL DIACYL GLYCEROL (DGDG)M,N,O1PPR0.72
DGDDIGALACTOSYL DIACYL GLYCEROL (DGDG)A,B,C,D,E,F,
H,I,J,K,L,M,
O,T,V,X,Z		3BZ20.72
DGDDIGALACTOSYL DIACYL GLYCEROL (DGDG)A,B,C2BHW0.72
DGDDIGALACTOSYL DIACYL GLYCEROL (DGDG)A,B,C,D,E,F,
G,H,I,J		1RWT0.72
DGDDIGALACTOSYL DIACYL GLYCEROL (DGDG)A,B,C,D,E,F,
H,I,J,K,M,O,
T,V,Z		3BZ10.72
DGDDIGALACTOSYL DIACYL GLYCEROL (DGDG)A,B,C,D,F,H,
K,L,T,V,Z		3A0H0.72
DGDDIGALACTOSYL DIACYL GLYCEROL (DGDG)A,B,C,D,F,H,
I,K,L,M,T,V,X		2AXT0.72
DGDDIGALACTOSYL DIACYL GLYCEROL (DGDG)A,B,C,D,E,H,
J,K,L,T,V,Z		3A0B0.72
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NST0.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDA1GXO0.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2EWE0.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVH0.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O040.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTB0.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT90.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2NZM0.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B2Z8S0.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVJ0.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O0V0.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NSP0.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B3B8Y0.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT60.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O170.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTP0.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O1D0.85
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTQ0.85
DG04-O-alpha-D-galactopyranuronosyl-
alpha-D-galactopyranuronic acid		A3DYB0.9
LGUALPHA-L-GULURONATEA2ZAC0.85
LGUALPHA-L-GULURONATEA2ZAA0.85
LGUALPHA-L-GULURONATEA,B2QJR0.85
LGUALPHA-L-GULURONATEA2ZAB0.85
LGUALPHA-L-GULURONATEA,B1J1N0.85
LGUALPHA-L-GULURONATEA1Y3P0.85
KO1D-glycero-alpha-D-talo-oct-2-ulopyranosonic acidA,B2R230.8
DR4METHYL 9-(BETA-D-TALOPYRANOSYLOXY)NONANOATEA1ZJO0.71
DR4METHYL 9-(BETA-D-TALOPYRANOSYLOXY)NONANOATEA1ZJP0.71
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID		A1RWG0.78
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID		A1RWF0.78
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID		A1RWH0.78
TGUTRIGALACTURONIC ACIDA2V8K0.85
MAVD-MANNURONIC ACIDA,B1J1N0.85
MAVD-MANNURONIC ACIDA1Y3P0.85
MAVD-MANNURONIC ACIDA,B,D2PYH0.85
MAVD-MANNURONIC ACIDA1Y3N0.85
MAVD-MANNURONIC ACIDA1HV60.85
SHBmethyl beta-D-galactopyranuronateC,D2NTP0.88
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE		M1E6X0.8
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE		A,B2E400.8
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE		A2VWG0.8
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE		A,B3EQO0.8
IDRL-IDURONIC ACIDA2V380.85
IDRL-IDURONIC ACIDA1HM20.85
IDRL-IDURONIC ACIDA2ERM0.85
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
NTPHEPARIN PENTASACCHARIDEI,L1NQ90.72
NTPHEPARIN PENTASACCHARIDEI,L1AZX0.72
NTPHEPARIN PENTASACCHARIDEI,L1E030.72
IDX2-O-sulfo-alpha-L-gulopyranuronic acid11QQP0.79
GTRGALACTURONIC ACIDA1KCD0.85
GTRGALACTURONIC ACIDA1KCC0.85
GTRGALACTURONIC ACIDA1N7Q0.85
46M(4AR,6R,7S,8R,8AS)-HEXAHYDRO-6,7,8-
TRIHYDROXY-2-METHYLPYRANO[3,2-D][1,3]DIOXINE-
2-CARBOXYLIC ACID		A1X1I0.84
149D-GALCTOPYRANOSYL-1-ONA,B,C,D1JZ50.8
149D-GALCTOPYRANOSYL-1-ONA,B,C,D3CZJ0.8