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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03128088

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
ITPPHOSPHORIC ACID MONO-(2,3,4,6-TETRAHYDROXY-
5-PHOSPHONOOXY-CYCLOHEXYL) ESTER		A,B1JOC0.74
ITPPHOSPHORIC ACID MONO-(2,3,4,6-TETRAHYDROXY-
5-PHOSPHONOOXY-CYCLOHEXYL) ESTER		A1HYI0.74
CS2D-MANNONIC ACIDA,B,C,D2QJM0.75
CS2D-MANNONIC ACIDA,B3DBN0.75
DRZ3',4'-DIHYDROXY-PENTANAL-5'-PHOSPHATEA,C1M3Q0.78
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A,B,C,D1FDJ1
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A,B6ALD1
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A,B,C,D1ZAI1
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A,B,C,D2QDG1
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A3ELF1
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A4ALD1
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A1UMG1
I1N(2S,3R,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXANONEA,B2IBN0.79
FPCD-FRUCTOSE-6-PHOSPHATE (OPEN FORM)A,B1FQO0.75
FPCD-FRUCTOSE-6-PHOSPHATE (OPEN FORM)A,B2GC20.75
IP5(1R,2S,3R,4S,5S,6R)-6-HYDROXYCYCLOHEXANE-
1,2,3,4,5-PENTAYL PENTAKIS[DIHYDROGEN (PHOSPHATE)]		A,B,C2I5C0.7
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
KD03-deoxy-8-O-phosphono-D-manno-oct-
2-ulosonic acid		A,B3E120.82
LG6L-GULURONIC ACID 6-PHOSPHATEA,B1KW10.88
LG6L-GULURONIC ACID 6-PHOSPHATEA,B1Q6O0.88
5IP(1R,2R,3R,4R,5S,6S)-6-HYDROXYCYCLOHEXANE-
1,2,3,4,5-PENTAYL PENTAKIS[DIHYDROGEN (PHOSPHATE)]		A2I5F0.7
TAGD-tagatoseA,B,C,D2QUM0.85
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		2QJG0.75
F2P1,6-DI-O-PHOSPHONO-D-ALLITOLA,B,C,D,E,F,
G,H,I,J		1W8R0.75
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA1H0A0.74
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA1NU20.74
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA1GC60.74
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA1MAI0.74
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA2P0D0.74
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA,B1OQN0.74
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA1U290.74
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA,B1W2C0.74
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA,B1DJX0.74
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA2A980.74
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA1N4K0.74
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA,B3C5N0.74
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA1BTN0.74
RSH3-DEOXY-D-LYXO-HEXONIC ACIDA,B,C,D1W3T0.72
I3S(1S,3S,4S)-1,3,4-TRIPHOSPHO-MYO-
INOSITOL		X1Z2P0.74
I3S(1S,3S,4S)-1,3,4-TRIPHOSPHO-MYO-
INOSITOL		A2P0H0.74
XULD-XYLULOSEA3CWH0.75
XULD-XYLULOSEA1XII0.75
XULD-XYLULOSEA,B2ITM0.75
P6T1,6-di-O-phosphono-D-tagatoseA,B3GAY1
FUDD-fructoseA,B,C,D2QUN0.85
KDP2-KETO-DEOXY-GALACTOSEA2V820.89
I4P(1S,3R,4R,6S)-1,3,4,6-TETRAPKISPHOSPHATEX1Z2O0.7
DERD-4-PHOSPHOERYTHRONIC ACIDA,B,C,D1LK70.76
DERD-4-PHOSPHOERYTHRONIC ACIDA,B2CXO0.76
HMS5-O-phosphono-L-ribuloseA,B1XBX0.88
RNSL-RHAMNOSEA,B,C,D1X8D0.7
RNSL-RHAMNOSEA,B,C,D1DE60.7
RNSL-RHAMNOSEA,B,C,D2I560.7
GLOD-GLUCOSE IN LINEAR FORMA,B1XYB0.77
GLOD-GLUCOSE IN LINEAR FORMA1FQD0.77
GLOD-GLUCOSE IN LINEAR FORMA,B1XYM0.77
GLOD-GLUCOSE IN LINEAR FORMA,B1EZ90.77
GLOD-GLUCOSE IN LINEAR FORMA1FBO0.77
GLOD-GLUCOSE IN LINEAR FORMA1AC00.77
GLOD-GLUCOSE IN LINEAR FORMA1FQC0.77
LI52-HYDROXY-4,5-DIOXOHEPTYL HYDROGEN PHOSPHONATEA,B1YCD0.8
IP2D-MYO-INOSITOL-4,5-BISPHOSPHATEA1HG20.74
IP2D-MYO-INOSITOL-4,5-BISPHOSPHATEA,B1DJZ0.74
PA55-PHOSPHOARABINONIC ACIDA1NUH0.85
PA55-PHOSPHOARABINONIC ACIDA1X820.85
PA55-PHOSPHOARABINONIC ACIDA,B1QXR0.85
PA55-PHOSPHOARABINONIC ACIDA,B1G980.85
PA55-PHOSPHOARABINONIC ACIDA,B1TZC0.85
PA55-PHOSPHOARABINONIC ACIDA1GZV0.85
PA55-PHOSPHOARABINONIC ACIDA1X7N0.85
PA55-PHOSPHOARABINONIC ACIDA1C7R0.85
2IPD-MYO-INOSITOL-1,4-BISPHOSPHATEA1I9Z0.74
MRU5-S-METHYL-1-O-PHOSPHONO-5-THIO-
D-RIBULOSE		A,B,C,D2YVK0.7
GCOGLUCONIC ACIDB,C,D1BGG0.75
GCOGLUCONIC ACIDA,B1XLF0.75
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
G6QGLUCOSE-6-PHOSPHATEA,B3FF10.89
G6QGLUCOSE-6-PHOSPHATEA,B,C2O2C0.89
G6QGLUCOSE-6-PHOSPHATEA,B2J6H0.89
G6QGLUCOSE-6-PHOSPHATEA,B1JXA0.89
G6QGLUCOSE-6-PHOSPHATEA,B1U0F0.89
G6QGLUCOSE-6-PHOSPHATEA,B1X9I0.89
5RPRIBULOSE-5-PHOSPHATEA,B1XBY0.88
5RPRIBULOSE-5-PHOSPHATEA,B1XBX0.88
5RPRIBULOSE-5-PHOSPHATEA1UJ50.88
5RPRIBULOSE-5-PHOSPHATEA,B1PVY0.88
5RPRIBULOSE-5-PHOSPHATEA2RIU0.88
5RPRIBULOSE-5-PHOSPHATEA,B1SNN0.88
5RPRIBULOSE-5-PHOSPHATEA,B1TKU0.88
5RPRIBULOSE-5-PHOSPHATEA,B3HHE0.88
5RPRIBULOSE-5-PHOSPHATEA,B1XBV0.88
5RPRIBULOSE-5-PHOSPHATEA,B,C2ISS0.88
5RPRIBULOSE-5-PHOSPHATEA,B,C2IYP0.88
5RPRIBULOSE-5-PHOSPHATEA,B,C,D,E2VVP0.88
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
I2PD-MYO-INOSITOL-2,4,5-TRIPHOSPHATEA,B1DJY0.74
LFC6-DEOXY-L-GALACTONIC ACIDA2HXU0.74
AHG2,5-ANHYDROGLUCITOL-1,6-BIPHOSPHATEA,B1FBD0.7
AHG2,5-ANHYDROGLUCITOL-1,6-BIPHOSPHATEA,B1FBE0.7
AHG2,5-ANHYDROGLUCITOL-1,6-BIPHOSPHATEA,B1FPE0.7
AHG2,5-ANHYDROGLUCITOL-1,6-BIPHOSPHATEA,B1FPD0.7
AHG2,5-ANHYDROGLUCITOL-1,6-BIPHOSPHATEA,B1FBC0.7
AHG2,5-ANHYDROGLUCITOL-1,6-BIPHOSPHATEA,B1FPG0.7
AHG2,5-ANHYDROGLUCITOL-1,6-BIPHOSPHATEA,B1FPL0.7
AHG2,5-ANHYDROGLUCITOL-1,6-BIPHOSPHATEA,B1FPI0.7
AHG2,5-ANHYDROGLUCITOL-1,6-BIPHOSPHATEA,B1FPJ0.7
AHG2,5-ANHYDROGLUCITOL-1,6-BIPHOSPHATEA,B1FPF0.7
IBSL-ALPHA-GLYCEROPHOSPHO-D-MYO-INOSITOL-
4,5-BIS-PHOSPHATE		A1I7E0.79
S703-HYDROXY-2-OXO-4-PHOPHONOXY- BUTYL)-
PHOSPHONIC ACID		A,B,C,D1QXS0.74
SSH3-DEOXY-D-ARABINO-HEXONIC ACIDA,B,C,D1W3N0.72
DXG4-DEOXYGLUCARATEA,B,C,D1ECQ0.75
DNOD-mannoseA3BDK0.77
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
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEL1RLC0.81
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		1IR20.81
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H		1RBL0.81
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,E,H,I,
J,K,M,O,P,R,
T,V,W		1UW90.81
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D4RUB0.81
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,C,E,G8RUC0.81
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,D,E,H,K,
O,R,V		1UWA0.81
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2VDH0.81
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2V630.81
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,E,F,H,
I,J,K,M,O,P,
R,T,V,W		1UZD0.81
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2VDI0.81
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,C,E,G,I,K,
M,O		1GK80.81
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2V6A0.81
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,C,E,G1UPP0.81
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2V690.81
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,E,F,H,
J,K,M,O,P,R,
T,V,W		1UZH0.81
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,C,E,G1BWV0.81
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,E,S,W1WDD0.81
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEB,E,H,K,L,O,
R,V		1UPM0.81
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,S,T,
U,V		1IR10.81
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2V670.81
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEB,E,H,L1RBO0.81
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2V680.81
I22D-ALTRO-HEPT-2-ULOSE 7-PHOSPHATEB2I220.91
AOSD-ALLOSEA,B,C,D2I570.77
F6RFRUCTOSE -6-PHOSPHATEA,B1X9H0.98
F6RFRUCTOSE -6-PHOSPHATEA,B,C,D2PUT0.98
F6RFRUCTOSE -6-PHOSPHATEA,B2BKX0.98
F6RFRUCTOSE -6-PHOSPHATEA,B,C2BPL0.98
F6RFRUCTOSE -6-PHOSPHATEA,B1FQO0.98
F6RFRUCTOSE -6-PHOSPHATEA,B,C,D2V4M0.98
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1EC80.73
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1JDF0.73
XBPXYLULOSE-1,5-BISPHOSPHATEA,B,C,D,E,F,
G,H		1RSC0.9
1NT(2R,4R,5R,6R,7R)-2,4,5,6,7-PENTAHYDROXY-
2,8-BIS(PHOSPHONOOXY)OCTANOIC ACID		A,B2NXG0.78
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		2NX30.78
3MF3-O-METHYLFRUCTOSE IN LINEAR FORMA,B1XYC0.79
LGTL-GLUCARIC ACIDA,B,C,D3CB30.77
LGTL-GLUCARIC ACIDA,B,C2PP30.77
I5PINOSITOL-(1,3,4,5,6)-PENTAKISPHOSPHATEA,B1FHW0.7
R105-O-phosphono-D-ribonic acidA,B,C,D,E2VVQ0.85
LIPL-MYO-INOSITOL-1-PHOSPHATEA,B1IMB0.72
LIPL-MYO-INOSITOL-1-PHOSPHATEA,B3C4V0.72
P6F1,6-di-O-phosphono-D-fructoseA,B3GB61
KDG2-KETO-3-DEOXYGLUCONATEA,B1V1A0.77
KDG2-KETO-3-DEOXYGLUCONATEA,B,C2VAR0.77
KDG2-KETO-3-DEOXYGLUCONATEA,B,C,D2QJN0.77
DXP1-DEOXY-D-XYLULOSE-5-PHOSPHATEB,C,D,E,F,G,H3GK00.81
DXP1-DEOXY-D-XYLULOSE-5-PHOSPHATEA,B,C,E,F,G1M5W0.81
DXP1-DEOXY-D-XYLULOSE-5-PHOSPHATEA,B,C,D1IXN0.81
DXP1-DEOXY-D-XYLULOSE-5-PHOSPHATEA,B1Q0Q0.81
AHM2,5-ANHYDROMANNITOL-1,6-DIPHOSPHATEA,B1FBG0.7
AHM2,5-ANHYDROMANNITOL-1,6-DIPHOSPHATEA,B1FBF0.7
DEZ4-PHOSPHO-D-ERYTHRONATEA,B,C,D,E2BET0.76
R525-O-phosphono-D-riboseA,B,C,D,E2VVP0.85
DG62-DEOXY-GLUCITOL-6-PHOSPHATEA,B1JKI0.75
3LR3,6-dideoxy-L-arabino-hexonic acidA,B3CXO0.71
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
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA1U270.7
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA1FAO0.7
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA2UZS0.7
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA1H100.7
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA,B2R0D0.7
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA,B1B550.7
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA1W1D0.7
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA,B1BWN0.7
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA,B1W2D0.7
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA,B1FHX0.7
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA,B2R090.7
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA1UNQ0.7
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA1UPR0.7
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA1FGY0.7
M2PD-MANNITOL-1,6-DIPHOSPHATEA2Q8J0.75
M2PD-MANNITOL-1,6-DIPHOSPHATEA,B,C,D2QDH0.75
M2PD-MANNITOL-1,6-DIPHOSPHATEA,B,C,D1ZAJ0.75
RUBRIBULOSE-1,5-DIPHOSPHATEA,B9RUB0.9
RUBRIBULOSE-1,5-DIPHOSPHATEB,E,H,K,L,O,
R,V		1RCX0.9
RUBRIBULOSE-1,5-DIPHOSPHATEB,E,H,L1RXO0.9