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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02480030

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GKRD-GLUCARATEA3CXT0.77
GKRD-GLUCARATEA,B1JCT0.77
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		2DCN0.77
LI52-HYDROXY-4,5-DIOXOHEPTYL HYDROGEN PHOSPHONATEA,B1YCD0.71
CS2D-MANNONIC ACIDA,B,C,D2QJM0.75
CS2D-MANNONIC ACIDA,B3DBN0.75
RSH3-DEOXY-D-LYXO-HEXONIC ACIDA,B,C,D1W3T0.78
DRZ3',4'-DIHYDROXY-PENTANAL-5'-PHOSPHATEA,C1M3Q0.78
P6T1,6-di-O-phosphono-D-tagatoseA,B3GAY0.86
RUBRIBULOSE-1,5-DIPHOSPHATEA,B9RUB0.77
RUBRIBULOSE-1,5-DIPHOSPHATEB,E,H,K,L,O,
R,V		1RCX0.77
RUBRIBULOSE-1,5-DIPHOSPHATEB,E,H,L1RXO0.77
FPCD-FRUCTOSE-6-PHOSPHATE (OPEN FORM)A,B1FQO0.75
FPCD-FRUCTOSE-6-PHOSPHATE (OPEN FORM)A,B2GC20.75
XLSD-XYLOSE (LINEAR FORM)A,B2QW50.72
XLSD-XYLOSE (LINEAR FORM)A2BRP0.72
XLSD-XYLOSE (LINEAR FORM)A3XIS0.72
XLSD-XYLOSE (LINEAR FORM)A,B,C,D8XIM0.72
XLSD-XYLOSE (LINEAR FORM)A4XIS0.72
XLSD-XYLOSE (LINEAR FORM)A,B,C,D9XIM0.72
XLSD-XYLOSE (LINEAR FORM)A,B,C,D5XIN0.72
XLSD-XYLOSE (LINEAR FORM)A8XIA0.72
XLSD-XYLOSE (LINEAR FORM)A,B,C,D6XIM0.72
XLSD-XYLOSE (LINEAR FORM)A1XIC0.72
KDP2-KETO-DEOXY-GALACTOSEA2V820.86
I22D-ALTRO-HEPT-2-ULOSE 7-PHOSPHATEB2I220.88
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A,B,C,D1FDJ0.86
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A,B6ALD0.86
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A,B,C,D1ZAI0.86
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A,B,C,D2QDG0.86
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A3ELF0.86
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A4ALD0.86
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A1UMG0.86
LG6L-GULURONIC ACID 6-PHOSPHATEA,B1KW10.88
LG6L-GULURONIC ACID 6-PHOSPHATEA,B1Q6O0.88
XBPXYLULOSE-1,5-BISPHOSPHATEA,B,C,D,E,F,
G,H		1RSC0.77
R105-O-phosphono-D-ribonic acidA,B,C,D,E2VVQ0.79
FUDD-fructoseA,B,C,D2QUN0.75
TAGD-tagatoseA,B,C,D2QUM0.75
F6RFRUCTOSE -6-PHOSPHATEA,B1X9H0.87
F6RFRUCTOSE -6-PHOSPHATEA,B,C,D2PUT0.87
F6RFRUCTOSE -6-PHOSPHATEA,B2BKX0.87
F6RFRUCTOSE -6-PHOSPHATEA,B,C2BPL0.87
F6RFRUCTOSE -6-PHOSPHATEA,B1FQO0.87
F6RFRUCTOSE -6-PHOSPHATEA,B,C,D2V4M0.87
3LR3,6-dideoxy-L-arabino-hexonic acidA,B3CXO0.77
DNOD-mannoseA3BDK0.83
1NT(2R,4R,5R,6R,7R)-2,4,5,6,7-PENTAHYDROXY-
2,8-BIS(PHOSPHONOOXY)OCTANOIC ACID		A,B2NXG0.81
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		2NX30.81
G6QGLUCOSE-6-PHOSPHATEA,B3FF10.96
G6QGLUCOSE-6-PHOSPHATEA,B,C2O2C0.96
G6QGLUCOSE-6-PHOSPHATEA,B2J6H0.96
G6QGLUCOSE-6-PHOSPHATEA,B1JXA0.96
G6QGLUCOSE-6-PHOSPHATEA,B1U0F0.96
G6QGLUCOSE-6-PHOSPHATEA,B1X9I0.96
F2P1,6-DI-O-PHOSPHONO-D-ALLITOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T		2QJG0.72
F2P1,6-DI-O-PHOSPHONO-D-ALLITOLA,B,C,D,E,F,
G,H,I,J		1W8R0.72
GCOGLUCONIC ACIDB,C,D1BGG0.75
GCOGLUCONIC ACIDA,B1XLF0.75
AOSD-ALLOSEA,B,C,D2I570.83
DEZ4-PHOSPHO-D-ERYTHRONATEA,B,C,D,E2BET0.7
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEL1RLC0.73
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATE1,2,3,4,5,6,
7,8,A,B,C,D,
E,F,G,H,I,J,
K,L,M,N,O,P,
S,T,U,V,W,X,
Y,Z		1IR20.73
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H		1RBL0.73
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,E,H,I,
J,K,M,O,P,R,
T,V,W		1UW90.73
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D4RUB0.73
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,C,E,G8RUC0.73
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,D,E,H,K,
O,R,V		1UWA0.73
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2VDH0.73
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2V630.73
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,E,F,H,
I,J,K,M,O,P,
R,T,V,W		1UZD0.73
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2VDI0.73
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,C,E,G,I,K,
M,O		1GK80.73
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2V6A0.73
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,C,E,G1UPP0.73
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2V690.73
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,E,F,H,
J,K,M,O,P,R,
T,V,W		1UZH0.73
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,C,E,G1BWV0.73
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,E,S,W1WDD0.73
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEB,E,H,K,L,O,
R,V		1UPM0.73
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,S,T,
U,V		1IR10.73
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2V670.73
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEB,E,H,L1RBO0.73
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2V680.73
E4PERYTHOSE-4-PHOSPHATEA,B1NGS0.74
E4PERYTHOSE-4-PHOSPHATEA,B1U0G0.74
E4PERYTHOSE-4-PHOSPHATEA,B1FWT0.74
E4PERYTHOSE-4-PHOSPHATEA,B1RZM0.74
E4PERYTHOSE-4-PHOSPHATEA,B,C,D1IRI0.74
IBSL-ALPHA-GLYCEROPHOSPHO-D-MYO-INOSITOL-
4,5-BIS-PHOSPHATE		A1I7E0.73
6PG6-PHOSPHOGLUCONIC ACIDA1PGP0.88
6PG6-PHOSPHOGLUCONIC ACIDA,B1J3R0.88
6PG6-PHOSPHOGLUCONIC ACIDA,B1QY40.88
6PG6-PHOSPHOGLUCONIC ACIDA,B2W8Z0.88
6PG6-PHOSPHOGLUCONIC ACIDA,B3E7F0.88
6PG6-PHOSPHOGLUCONIC ACIDA,B2W900.88
6PG6-PHOSPHOGLUCONIC ACIDA,B1KO80.88
6PG6-PHOSPHOGLUCONIC ACIDA,B2CXR0.88
6PG6-PHOSPHOGLUCONIC ACIDA2IYO0.88
6PG6-PHOSPHOGLUCONIC ACIDA,B1DQR0.88
KD03-deoxy-8-O-phosphono-D-manno-oct-
2-ulosonic acid		A,B3E120.79
LFC6-DEOXY-L-GALACTONIC ACIDA2HXU0.74
I2PD-MYO-INOSITOL-2,4,5-TRIPHOSPHATEA,B1DJY0.71
M2PD-MANNITOL-1,6-DIPHOSPHATEA2Q8J0.72
M2PD-MANNITOL-1,6-DIPHOSPHATEA,B,C,D2QDH0.72
M2PD-MANNITOL-1,6-DIPHOSPHATEA,B,C,D1ZAJ0.72
DXG4-DEOXYGLUCARATEA,B,C,D1ECQ0.75
GLOD-GLUCOSE IN LINEAR FORMA,B1XYB0.83
GLOD-GLUCOSE IN LINEAR FORMA1FQD0.83
GLOD-GLUCOSE IN LINEAR FORMA,B1XYM0.83
GLOD-GLUCOSE IN LINEAR FORMA,B1EZ90.83
GLOD-GLUCOSE IN LINEAR FORMA1FBO0.83
GLOD-GLUCOSE IN LINEAR FORMA1AC00.83
GLOD-GLUCOSE IN LINEAR FORMA1FQC0.83
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1EC80.7
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1JDF0.7
IPDD-MYO-INOSITOL-1-PHOSPHATEA,B1IMA0.72
IPDD-MYO-INOSITOL-1-PHOSPHATEA,B1G0H0.72
IPDD-MYO-INOSITOL-1-PHOSPHATEA,B,C2ORK0.72
IPDD-MYO-INOSITOL-1-PHOSPHATEA,B1AWB0.72
IPDD-MYO-INOSITOL-1-PHOSPHATEA,B1LBX0.72
DO83-DEOXY-D-MANNO-2-OCTULOSONATE-
8-PHOSPHATE		A1X6U0.74
KDG2-KETO-3-DEOXYGLUCONATEA,B1V1A0.74
KDG2-KETO-3-DEOXYGLUCONATEA,B,C2VAR0.74
KDG2-KETO-3-DEOXYGLUCONATEA,B,C,D2QJN0.74
2IPD-MYO-INOSITOL-1,4-BISPHOSPHATEA1I9Z0.71
PA55-PHOSPHOARABINONIC ACIDA1NUH0.79
PA55-PHOSPHOARABINONIC ACIDA1X820.79
PA55-PHOSPHOARABINONIC ACIDA,B1QXR0.79
PA55-PHOSPHOARABINONIC ACIDA,B1G980.79
PA55-PHOSPHOARABINONIC ACIDA,B1TZC0.79
PA55-PHOSPHOARABINONIC ACIDA1GZV0.79
PA55-PHOSPHOARABINONIC ACIDA1X7N0.79
PA55-PHOSPHOARABINONIC ACIDA1C7R0.79
IP2D-MYO-INOSITOL-4,5-BISPHOSPHATEA1HG20.71
IP2D-MYO-INOSITOL-4,5-BISPHOSPHATEA,B1DJZ0.71
SSH3-DEOXY-D-ARABINO-HEXONIC ACIDA,B,C,D1W3N0.78
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
DXP1-DEOXY-D-XYLULOSE-5-PHOSPHATEB,C,D,E,F,G,H3GK00.71
DXP1-DEOXY-D-XYLULOSE-5-PHOSPHATEA,B,C,E,F,G1M5W0.71
DXP1-DEOXY-D-XYLULOSE-5-PHOSPHATEA,B,C,D1IXN0.71
DXP1-DEOXY-D-XYLULOSE-5-PHOSPHATEA,B1Q0Q0.71
I3S(1S,3S,4S)-1,3,4-TRIPHOSPHO-MYO-
INOSITOL		X1Z2P0.71
I3S(1S,3S,4S)-1,3,4-TRIPHOSPHO-MYO-
INOSITOL		A2P0H0.71
DERD-4-PHOSPHOERYTHRONIC ACIDA,B,C,D1LK70.7
DERD-4-PHOSPHOERYTHRONIC ACIDA,B2CXO0.7
RNSL-RHAMNOSEA,B,C,D1X8D0.76
RNSL-RHAMNOSEA,B,C,D1DE60.76
RNSL-RHAMNOSEA,B,C,D2I560.76
LGTL-GLUCARIC ACIDA,B,C,D3CB30.77
LGTL-GLUCARIC ACIDA,B,C2PP30.77
LIPL-MYO-INOSITOL-1-PHOSPHATEA,B1IMB0.72
LIPL-MYO-INOSITOL-1-PHOSPHATEA,B3C4V0.72
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA1H0A0.71
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA1NU20.71
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA1GC60.71
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA1MAI0.71
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA2P0D0.71
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA,B1OQN0.71
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA1U290.71
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA,B1W2C0.71
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA,B1DJX0.71
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA2A980.71
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA1N4K0.71
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA,B3C5N0.71
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA1BTN0.71
HMS5-O-phosphono-L-ribuloseA,B1XBX0.78
5RPRIBULOSE-5-PHOSPHATEA,B1XBY0.78
5RPRIBULOSE-5-PHOSPHATEA,B1XBX0.78
5RPRIBULOSE-5-PHOSPHATEA1UJ50.78
5RPRIBULOSE-5-PHOSPHATEA,B1PVY0.78
5RPRIBULOSE-5-PHOSPHATEA2RIU0.78
5RPRIBULOSE-5-PHOSPHATEA,B1SNN0.78
5RPRIBULOSE-5-PHOSPHATEA,B1TKU0.78
5RPRIBULOSE-5-PHOSPHATEA,B3HHE0.78
5RPRIBULOSE-5-PHOSPHATEA,B1XBV0.78
5RPRIBULOSE-5-PHOSPHATEA,B,C2ISS0.78
5RPRIBULOSE-5-PHOSPHATEA,B,C2IYP0.78
5RPRIBULOSE-5-PHOSPHATEA,B,C,D,E2VVP0.78
R525-O-phosphono-D-riboseA,B,C,D,E2VVP0.85
DG62-DEOXY-GLUCITOL-6-PHOSPHATEA,B1JKI0.75
P6F1,6-di-O-phosphono-D-fructoseA,B3GB60.86
S6PD-SORBITOL-6-PHOSPHATEA,B2CXQ0.75
S6PD-SORBITOL-6-PHOSPHATEA,B1XTB0.75
S6PD-SORBITOL-6-PHOSPHATEA,B2GC10.75
S6PD-SORBITOL-6-PHOSPHATEA,B,C,D,E,F3CTL0.75
ITPPHOSPHORIC ACID MONO-(2,3,4,6-TETRAHYDROXY-
5-PHOSPHONOOXY-CYCLOHEXYL) ESTER		A,B1JOC0.71
ITPPHOSPHORIC ACID MONO-(2,3,4,6-TETRAHYDROXY-
5-PHOSPHONOOXY-CYCLOHEXYL) ESTER		A1HYI0.71
I1N(2S,3R,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXANONEA,B2IBN0.75