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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02464864

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GC12,6-ANHYDRO-L-GULONIC ACIDA1HUA0.76
GKRD-GLUCARATEA3CXT0.72
GKRD-GLUCARATEA,B1JCT0.72
BEMbeta-D-mannuronic acidA2ZAA0.72
BEMbeta-D-mannuronic acidA2ZAC0.72
BEMbeta-D-mannuronic acidA2ZAB0.72
BEMbeta-D-mannuronic acidA1Y3N0.72
BEMbeta-D-mannuronic acidA1Y3P0.72
BEMbeta-D-mannuronic acidA,B1J1N0.72
SHBmethyl beta-D-galactopyranuronateC,D2NTP0.75
CS2D-MANNONIC ACIDA,B,C,D2QJM0.73
CS2D-MANNONIC ACIDA,B3DBN0.73
FKD2,6-ANHYDRO-3-DEOXY-3-FLUORO-L-
ARABINO-D-GALACTO-NONONIC ACID
A2AGS0.75
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
M1E6X0.78
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A,B2E400.78
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A2VWG0.78
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A,B3EQO0.78
DEB6-DEOXYERYTHRONOLIDE BA1Z8P0.76
DEB6-DEOXYERYTHRONOLIDE BA1JIO0.76
DEB6-DEOXYERYTHRONOLIDE BA1Z8Q0.76
DEB6-DEOXYERYTHRONOLIDE BA1OXA0.76
DEB6-DEOXYERYTHRONOLIDE BA1Z8O0.76
FA63-HYDROXYIMINO QUINIC ACIDA1H0S0.74
149D-GALCTOPYRANOSYL-1-ONA,B,C,D1JZ50.78
149D-GALCTOPYRANOSYL-1-ONA,B,C,D3CZJ0.78
DQA1,3,4-TRIHYDROXY-5-OXO-CYCLOHEXANECARBOXYLIC ACIDA1J2Y0.87
DG04-O-alpha-D-galactopyranuronosyl-
alpha-D-galactopyranuronic acid
A3DYB0.72
KO2prop-2-en-1-yl D-glycero-alpha-
D-talo-oct-2-ulopyranosidonic acid
A,B2R2H0.71
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
GCUD-GLUCURONIC ACIDA1HMW0.72
GCUD-GLUCURONIC ACIDA2JCQ0.72
GCUD-GLUCURONIC ACIDA3HYA0.72
GCUD-GLUCURONIC ACIDA,B2FUQ0.72
GCUD-GLUCURONIC ACIDA1DBG0.72
GCUD-GLUCURONIC ACIDA1FCV0.72
GCUD-GLUCURONIC ACIDA1OFM0.72
GCUD-GLUCURONIC ACIDA,B3E7J0.72
GCUD-GLUCURONIC ACIDA1CB80.72
GCUD-GLUCURONIC ACIDA1HV60.72
GCUD-GLUCURONIC ACIDA1HMU0.72
GCUD-GLUCURONIC ACIDA,B,C3E800.72
GCUD-GLUCURONIC ACIDA,B2VZR0.72
GCUD-GLUCURONIC ACIDA2HYA0.72
GCUD-GLUCURONIC ACIDA1OFL0.72
GCUD-GLUCURONIC ACIDA,B2W870.72
GCUD-GLUCURONIC ACIDA1MQQ0.72
GCUD-GLUCURONIC ACIDA1HM20.72
GCUD-GLUCURONIC ACIDA1HYA0.72
GCUD-GLUCURONIC ACIDA2C4S0.72
GCUD-GLUCURONIC ACIDA4HYA0.72
GCUD-GLUCURONIC ACIDA1C4S0.72
GCUD-GLUCURONIC ACIDA1HM30.72
GCUD-GLUCURONIC ACIDA1DBO0.72
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7R0.72
BDPBETA-D-GALACTOPYRANURONIC ACIDA3C9E0.72
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LOH0.72
BDPBETA-D-GALACTOPYRANURONIC ACIDA1CAP0.72
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HM30.72
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HUA0.72
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXK0.72
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQK0.72
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1ON80.72
BDPBETA-D-GALACTOPYRANURONIC ACIDP2BVK0.72
BDPBETA-D-GALACTOPYRANURONIC ACIDA2JCR0.72
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXM0.72
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HMW0.72
BDPBETA-D-GALACTOPYRANURONIC ACIDA3HYA0.72
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQL0.72
BDPBETA-D-GALACTOPYRANURONIC ACIDA1OFM0.72
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7Q0.72
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)
A1X1J0.7
GCW4-O-METHYL-BETA-D-GLUCURONIC ACIDA1L8N0.74
GCOGLUCONIC ACIDB,C,D1BGG0.73
GCOGLUCONIC ACIDA,B1XLF0.73
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1K9E0.74
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1V6X0.74
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1UQZ0.74
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1H410.74
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1K9F0.74
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1V6W0.74
LFC6-DEOXY-L-GALACTONIC ACIDA2HXU0.74
KO1D-glycero-alpha-D-talo-oct-2-ulopyranosonic acidA,B2R230.78
DXG4-DEOXYGLUCARATEA,B,C,D1ECQ0.73
GTRGALACTURONIC ACIDA1KCD0.72
GTRGALACTURONIC ACIDA1KCC0.72
GTRGALACTURONIC ACIDA1N7Q0.72
GU12,3-DI-O-METHYL-BETA-D-GLUCOPYRANURONIC ACIDH,I1TB60.76
GU12,3-DI-O-METHYL-BETA-D-GLUCOPYRANURONIC ACIDA,B,D,I2B5T0.76
MAVD-MANNURONIC ACIDA,B1J1N0.72
MAVD-MANNURONIC ACIDA1Y3P0.72
MAVD-MANNURONIC ACIDA,B,D2PYH0.72
MAVD-MANNURONIC ACIDA1Y3N0.72
MAVD-MANNURONIC ACIDA1HV60.72
IDRL-IDURONIC ACIDA2V380.72
IDRL-IDURONIC ACIDA1HM20.72
IDRL-IDURONIC ACIDA2ERM0.72
OVA3,4-DIHYDROXY-2-METHOXY-4-METHYL-
3-[2-METHYL-3-(3-METHYL-BUT-2-ENYL) -
OXIRANYL]-CYCLOHEXANONE
A2GZ50.71
OVA3,4-DIHYDROXY-2-METHOXY-4-METHYL-
3-[2-METHYL-3-(3-METHYL-BUT-2-ENYL) -
OXIRANYL]-CYCLOHEXANONE
A1B590.71
I1N(2S,3R,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXANONEA,B2IBN0.7
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWG0.74
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWF0.74
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWH0.74
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NST0.72
ADAALPHA-D-GALACTOPYRANURONIC ACIDA1GXO0.72
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2EWE0.72
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVH0.72
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O040.72
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTB0.72
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT90.72
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2NZM0.72
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B2Z8S0.72
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVJ0.72
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O0V0.72
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NSP0.72
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B3B8Y0.72
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT60.72
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O170.72
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTP0.72
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O1D0.72
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTQ0.72
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NST0.75
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NSP0.75
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NT90.75
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NTQ0.75
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NTP0.75
M8CMETHYL ALPHA-D-GALACTOPYRANURONATEC,D2NT60.75
FOKFORSKOLINA,C3C160.71
FOKFORSKOLINA,C1CJU0.71
FOKFORSKOLINA,C1TL70.71
FOKFORSKOLINA,B1AB80.71
FOKFORSKOLINA,C3C140.71
FOKFORSKOLINA,C1CJT0.71
FOKFORSKOLINA,B,C1CUL0.71
FOKFORSKOLINA,C1CJV0.71
FOKFORSKOLINA,C3C150.71
FOKFORSKOLINA,C1U0H0.71
FOKFORSKOLINA,B,C1CS40.71
FOKFORSKOLINA,C1CJK0.71
LGUALPHA-L-GULURONATEA2ZAC0.72
LGUALPHA-L-GULURONATEA2ZAA0.72
LGUALPHA-L-GULURONATEA,B2QJR0.72
LGUALPHA-L-GULURONATEA2ZAB0.72
LGUALPHA-L-GULURONATEA,B1J1N0.72
LGUALPHA-L-GULURONATEA1Y3P0.72
LGTL-GLUCARIC ACIDA,B,C,D3CB30.72
LGTL-GLUCARIC ACIDA,B,C2PP30.72
AD0DIGALACTURONIC ACIDA,B2UVF0.72
KDG2-KETO-3-DEOXYGLUCONATEA,B1V1A0.72
KDG2-KETO-3-DEOXYGLUCONATEA,B,C2VAR0.72
KDG2-KETO-3-DEOXYGLUCONATEA,B,C,D2QJN0.72
GU22,3-DI-O-METHYL-ALPHA-L-IDOPYRANURONIC ACIDA,B,D,I2B5T0.76
GU22,3-DI-O-METHYL-ALPHA-L-IDOPYRANURONIC ACIDH,I1TB60.76
3LR3,6-dideoxy-L-arabino-hexonic acidA,B3CXO0.71
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID
A,B1XAI0.76
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID
A,B1NVD0.76
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID
A1XAG0.76
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID
A,B1NR50.76
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID
A,B1XAJ0.76
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID
A,B1XAL0.76
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID
A,B1DQS0.76
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID
A,B1NVB0.76
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID
A,B,C1NVF0.76