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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02393612

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IDX2-O-sulfo-alpha-L-gulopyranuronic acid11QQP0.75
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NST0.82
ADAALPHA-D-GALACTOPYRANURONIC ACIDA1GXO0.82
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2EWE0.82
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVH0.82
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O040.82
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTB0.82
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT90.82
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2NZM0.82
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B2Z8S0.82
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVJ0.82
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O0V0.82
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NSP0.82
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B3B8Y0.82
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT60.82
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O170.82
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTP0.82
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O1D0.82
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTQ0.82
LGUALPHA-L-GULURONATEA2ZAC0.82
LGUALPHA-L-GULURONATEA2ZAA0.82
LGUALPHA-L-GULURONATEA,B2QJR0.82
LGUALPHA-L-GULURONATEA2ZAB0.82
LGUALPHA-L-GULURONATEA,B1J1N0.82
LGUALPHA-L-GULURONATEA1Y3P0.82
GC12,6-ANHYDRO-L-GULONIC ACIDA1HUA0.88
GU12,3-DI-O-METHYL-BETA-D-GLUCOPYRANURONIC ACIDH,I1TB60.78
GU12,3-DI-O-METHYL-BETA-D-GLUCOPYRANURONIC ACIDA,B,D,I2B5T0.78
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NST0.79
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NSP0.79
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NT90.79
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NTQ0.79
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NTP0.79
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NT60.79
DG04-O-alpha-D-galactopyranuronosyl-
alpha-D-galactopyranuronic acid
A3DYB0.73
IDSO2-SULFO-GLUCURONIC ACID11ZBA0.75
IDSO2-SULFO-GLUCURONIC ACIDA2HYV0.75
IDSO2-SULFO-GLUCURONIC ACIDA1BFC0.75
IDSO2-SULFO-GLUCURONIC ACIDA,B,C,D2VRA0.75
IDSO2-SULFO-GLUCURONIC ACIDH,I3B9F0.75
IDSO2-SULFO-GLUCURONIC ACIDB,C,D,E1E0O0.75
IDSO2-SULFO-GLUCURONIC ACIDA2HYU0.75
IDSO2-SULFO-GLUCURONIC ACIDA,B3DY00.75
IDSO2-SULFO-GLUCURONIC ACIDB2AXM0.75
IDSO2-SULFO-GLUCURONIC ACIDA,B1FQ90.75
IDSO2-SULFO-GLUCURONIC ACIDA1BFB0.75
IDSO2-SULFO-GLUCURONIC ACIDA,B1T8U0.75
IDSO2-SULFO-GLUCURONIC ACIDA,B1GMN0.75
IDSO2-SULFO-GLUCURONIC ACIDA1XT30.75
IDSO2-SULFO-GLUCURONIC ACIDA,B,C,D,E,F1AXM0.75
IDSO2-SULFO-GLUCURONIC ACIDA,B,C,D,E,F,
G,H
1GMO0.75
IDSO2-SULFO-GLUCURONIC ACIDA2ERM0.75
IDSO2-SULFO-GLUCURONIC ACIDB,D,F,H1XMN0.75
IDSO2-SULFO-GLUCURONIC ACIDA1HPN0.75
IDSO2-SULFO-GLUCURONIC ACIDA1G5N0.75
IDSO2-SULFO-GLUCURONIC ACID11QQP0.75
IDSO2-SULFO-GLUCURONIC ACIDA,B1RID0.75
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1EC80.8
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1JDF0.8
KO1D-glycero-alpha-D-talo-oct-2-ulopyranosonic acidA,B2R230.77
DXG4-DEOXYGLUCARATEA,B,C,D1ECQ0.87
KBG2-KETO-BETA-D-GLUCOSEA2F5V0.74
KBG2-KETO-BETA-D-GLUCOSEA1FQ70.74
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
M1E6X0.89
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A,B2E400.89
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A2VWG0.89
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A,B3EQO0.89
3MF3-O-METHYLFRUCTOSE IN LINEAR FORMA,B1XYC0.77
1NT(2R,4R,5R,6R,7R)-2,4,5,6,7-PENTAHYDROXY-
2,8-BIS(PHOSPHONOOXY)OCTANOIC ACID
A,B2NXG0.71
1NT(2R,4R,5R,6R,7R)-2,4,5,6,7-PENTAHYDROXY-
2,8-BIS(PHOSPHONOOXY)OCTANOIC ACID
A,B,C,D,E,F,
G,H,I,J,K,L
2NX30.71
GTRGALACTURONIC ACIDA1KCD0.82
GTRGALACTURONIC ACIDA1KCC0.82
GTRGALACTURONIC ACIDA1N7Q0.82
KDF3-deoxy-alpha-D-erythro-hex-2-ulofuranosonic acidA,B,C2VAR0.94
KDP2-KETO-DEOXY-GALACTOSEA2V820.75
LFC6-DEOXY-L-GALACTONIC ACIDA2HXU0.85
GKRD-GLUCARATEA3CXT0.85
GKRD-GLUCARATEA,B1JCT0.85
SSH3-DEOXY-D-ARABINO-HEXONIC ACIDA,B,C,D1W3N0.9
FRUFRUCTOSEA1FIT0.72
FRUFRUCTOSEA,B,C,D,E,F,
G,H,S,T
3B750.72
FRUFRUCTOSEA,B,C1AF60.72
FRUFRUCTOSEA,B,C2INV0.72
FRUFRUCTOSEA1Y9G0.72
FRUFRUCTOSEA2O510.72
FRUFRUCTOSEA,B1N3P0.72
FRUFRUCTOSEA,B,C,D2HK10.72
FRUFRUCTOSEB,C,F,H,I,K,L2DD40.72
FRUFRUCTOSEA,B,C,D2I580.72
FRUFRUCTOSEA,C1LES0.72
FRUFRUCTOSEA2ADE0.72
FRUFRUCTOSEA,B3BRQ0.72
FRUFRUCTOSEA2HW10.72
FRUFRUCTOSEA2FIT0.72
FRUFRUCTOSEA3FIT0.72
FRUFRUCTOSEA,B1N3Q0.72
FRUFRUCTOSEA2DWJ0.72
GU22,3-DI-O-METHYL-ALPHA-L-IDOPYRANURONIC ACIDA,B,D,I2B5T0.78
GU22,3-DI-O-METHYL-ALPHA-L-IDOPYRANURONIC ACIDH,I1TB60.78
MAVD-MANNURONIC ACIDA,B1J1N0.82
MAVD-MANNURONIC ACIDA1Y3P0.82
MAVD-MANNURONIC ACIDA,B,D2PYH0.82
MAVD-MANNURONIC ACIDA1Y3N0.82
MAVD-MANNURONIC ACIDA1HV60.82
IDRL-IDURONIC ACIDA2V380.82
IDRL-IDURONIC ACIDA1HM20.82
IDRL-IDURONIC ACIDA2ERM0.82
LRH6-DEOXY-BETA-L-FRUCTOFURANOSEA2UYT0.7
GLOD-GLUCOSE IN LINEAR FORMA,B1XYB0.78
GLOD-GLUCOSE IN LINEAR FORMA1FQD0.78
GLOD-GLUCOSE IN LINEAR FORMA,B1XYM0.78
GLOD-GLUCOSE IN LINEAR FORMA,B1EZ90.78
GLOD-GLUCOSE IN LINEAR FORMA1FBO0.78
GLOD-GLUCOSE IN LINEAR FORMA1AC00.78
GLOD-GLUCOSE IN LINEAR FORMA1FQC0.78
149D-GALCTOPYRANOSYL-1-ONA,B,C,D1JZ50.89
149D-GALCTOPYRANOSYL-1-ONA,B,C,D3CZJ0.89
GC44-DEOXY-D-GLUCURONIC ACIDA1I8Q0.84
GC44-DEOXY-D-GLUCURONIC ACIDA1C4S0.84
GC44-DEOXY-D-GLUCURONIC ACIDA1DBO0.84
LG6L-GULURONIC ACID 6-PHOSPHATEA,B1KW10.77
LG6L-GULURONIC ACID 6-PHOSPHATEA,B1Q6O0.77
AOSD-ALLOSEA,B,C,D2I570.78
I1N(2S,3R,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXANONEA,B2IBN0.77
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWG0.91
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWF0.91
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWH0.91
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
2DCN0.81
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C1Q9W0.79
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DUV0.79
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUS0.79
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QJQ0.79
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9R0.79
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QFF0.79
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA2FCP0.79
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9Q0.79
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DV40.79
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3FXI0.79
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2R2B0.79
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1FCP0.79
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1FI10.79
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUU0.79
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9V0.79
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QFG0.79
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QKC0.79
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUR0.79
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2R1Y0.79
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9T0.79
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DV60.79
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2GRX0.79
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7R0.82
BDPBETA-D-GALACTOPYRANURONIC ACIDA3C9E0.82
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LOH0.82
BDPBETA-D-GALACTOPYRANURONIC ACIDA1CAP0.82
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HM30.82
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HUA0.82
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXK0.82
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQK0.82
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1ON80.82
BDPBETA-D-GALACTOPYRANURONIC ACIDP2BVK0.82
BDPBETA-D-GALACTOPYRANURONIC ACIDA2JCR0.82
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXM0.82
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HMW0.82
BDPBETA-D-GALACTOPYRANURONIC ACIDA3HYA0.82
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQL0.82
BDPBETA-D-GALACTOPYRANURONIC ACIDA1OFM0.82
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7Q0.82
GCUD-GLUCURONIC ACIDA1HMW0.82
GCUD-GLUCURONIC ACIDA2JCQ0.82
GCUD-GLUCURONIC ACIDA3HYA0.82
GCUD-GLUCURONIC ACIDA,B2FUQ0.82
GCUD-GLUCURONIC ACIDA1DBG0.82
GCUD-GLUCURONIC ACIDA1FCV0.82
GCUD-GLUCURONIC ACIDA1OFM0.82
GCUD-GLUCURONIC ACIDA,B3E7J0.82
GCUD-GLUCURONIC ACIDA1CB80.82
GCUD-GLUCURONIC ACIDA1HV60.82
GCUD-GLUCURONIC ACIDA1HMU0.82
GCUD-GLUCURONIC ACIDA,B,C3E800.82
GCUD-GLUCURONIC ACIDA,B2VZR0.82
GCUD-GLUCURONIC ACIDA2HYA0.82
GCUD-GLUCURONIC ACIDA1OFL0.82
GCUD-GLUCURONIC ACIDA,B2W870.82
GCUD-GLUCURONIC ACIDA1MQQ0.82
GCUD-GLUCURONIC ACIDA1HM20.82
GCUD-GLUCURONIC ACIDA1HYA0.82
GCUD-GLUCURONIC ACIDA2C4S0.82
GCUD-GLUCURONIC ACIDA4HYA0.82
GCUD-GLUCURONIC ACIDA1C4S0.82
GCUD-GLUCURONIC ACIDA1HM30.82
GCUD-GLUCURONIC ACIDA1DBO0.82
DNOD-mannoseA3BDK0.78
LGTL-GLUCARIC ACIDA,B,C,D3CB30.85
LGTL-GLUCARIC ACIDA,B,C2PP30.85
IDU2-O-sulfo-beta-L-altropyranuronic acidA,B2BRS0.75
IDU2-O-sulfo-beta-L-altropyranuronic acidA,B1FQ90.75
KDG2-KETO-3-DEOXYGLUCONATEA,B1V1A0.85
KDG2-KETO-3-DEOXYGLUCONATEA,B,C2VAR0.85
KDG2-KETO-3-DEOXYGLUCONATEA,B,C,D2QJN0.85
AD0DIGALACTURONIC ACIDA,B2UVF0.73
GCOGLUCONIC ACIDB,C,D1BGG0.87
GCOGLUCONIC ACIDA,B1XLF0.87
BEMbeta-D-mannuronic acidA2ZAA0.82
BEMbeta-D-mannuronic acidA2ZAC0.82
BEMbeta-D-mannuronic acidA2ZAB0.82
BEMbeta-D-mannuronic acidA1Y3N0.82
BEMbeta-D-mannuronic acidA1Y3P0.82
BEMbeta-D-mannuronic acidA,B1J1N0.82
RNSL-RHAMNOSEA,B,C,D1X8D0.71
RNSL-RHAMNOSEA,B,C,D1DE60.71
RNSL-RHAMNOSEA,B,C,D2I560.71
1N5(2R,4S)-2,4,7-trihydroxyheptanoic acidA,B3CXO0.78
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
DO83-DEOXY-D-MANNO-2-OCTULOSONATE-
8-PHOSPHATE
A1X6U0.72
GCW4-O-METHYL-BETA-D-GLUCURONIC ACIDA1L8N0.8
CS2D-MANNONIC ACIDA,B,C,D2QJM0.87
CS2D-MANNONIC ACIDA,B3DBN0.87
6PG6-PHOSPHOGLUCONIC ACIDA1PGP0.77
6PG6-PHOSPHOGLUCONIC ACIDA,B1J3R0.77
6PG6-PHOSPHOGLUCONIC ACIDA,B1QY40.77
6PG6-PHOSPHOGLUCONIC ACIDA,B2W8Z0.77
6PG6-PHOSPHOGLUCONIC ACIDA,B3E7F0.77
6PG6-PHOSPHOGLUCONIC ACIDA,B2W900.77
6PG6-PHOSPHOGLUCONIC ACIDA,B1KO80.77
6PG6-PHOSPHOGLUCONIC ACIDA,B2CXR0.77
6PG6-PHOSPHOGLUCONIC ACIDA2IYO0.77
6PG6-PHOSPHOGLUCONIC ACIDA,B1DQR0.77
RSH3-DEOXY-D-LYXO-HEXONIC ACIDA,B,C,D1W3T0.9
FUDD-fructoseA,B,C,D2QUN0.76
3LR3,6-dideoxy-L-arabino-hexonic acidA,B3CXO0.88
TFBTETRAHYDROFURAN-2-CARBOXYLIC ACIDA1TIW0.79
TFBTETRAHYDROFURAN-2-CARBOXYLIC ACIDA3E2R0.79
TFBTETRAHYDROFURAN-2-CARBOXYLIC ACIDA1KB00.79
TAGD-tagatoseA,B,C,D2QUM0.76
SHBmethyl beta-D-galactopyranuronateC,D2NTP0.79
FKD2,6-ANHYDRO-3-DEOXY-3-FLUORO-L-
ARABINO-D-GALACTO-NONONIC ACID
A2AGS0.79
LFRBETA-L-FRUCTO-FURANOSEA2CGJ0.72
LFRBETA-L-FRUCTO-FURANOSEA2CGL0.72
LFRBETA-L-FRUCTO-FURANOSEA1ZX50.72