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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02813297

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AHG2,5-ANHYDROGLUCITOL-1,6-BIPHOSPHATEA,B1FBD0.71
AHG2,5-ANHYDROGLUCITOL-1,6-BIPHOSPHATEA,B1FBE0.71
AHG2,5-ANHYDROGLUCITOL-1,6-BIPHOSPHATEA,B1FPE0.71
AHG2,5-ANHYDROGLUCITOL-1,6-BIPHOSPHATEA,B1FPD0.71
AHG2,5-ANHYDROGLUCITOL-1,6-BIPHOSPHATEA,B1FBC0.71
AHG2,5-ANHYDROGLUCITOL-1,6-BIPHOSPHATEA,B1FPG0.71
AHG2,5-ANHYDROGLUCITOL-1,6-BIPHOSPHATEA,B1FPL0.71
AHG2,5-ANHYDROGLUCITOL-1,6-BIPHOSPHATEA,B1FPI0.71
AHG2,5-ANHYDROGLUCITOL-1,6-BIPHOSPHATEA,B1FPJ0.71
AHG2,5-ANHYDROGLUCITOL-1,6-BIPHOSPHATEA,B1FPF0.71
HPD1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHATEA,C1L1T0.71
HPD1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHATEA,C1L2D0.71
HPD1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHATEA,B1JCJ0.71
HPD1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHATEA,B1JCL0.71
HPD1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHATEA,B,C1RRS0.71
HPD1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHATEA,C1L2C0.71
HPD1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHATEA,B,C1VRL0.71
HPD1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHATEA,B,C,D1UB30.71
I3S(1S,3S,4S)-1,3,4-TRIPHOSPHO-MYO-
INOSITOL		X1Z2P0.75
I3S(1S,3S,4S)-1,3,4-TRIPHOSPHO-MYO-
INOSITOL		A2P0H0.75
KD03-deoxy-8-O-phosphono-D-manno-oct-
2-ulosonic acid		A,B3E120.8
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1EC80.71
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1JDF0.71
CS2D-MANNONIC ACIDA,B,C,D2QJM0.73
CS2D-MANNONIC ACIDA,B3DBN0.73
E4PERYTHOSE-4-PHOSPHATEA,B1NGS0.78
E4PERYTHOSE-4-PHOSPHATEA,B1U0G0.78
E4PERYTHOSE-4-PHOSPHATEA,B1FWT0.78
E4PERYTHOSE-4-PHOSPHATEA,B1RZM0.78
E4PERYTHOSE-4-PHOSPHATEA,B,C,D1IRI0.78
MRU5-S-METHYL-1-O-PHOSPHONO-5-THIO-
D-RIBULOSE		A,B,C,D2YVK0.74
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA1H0A0.75
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA1NU20.75
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA1GC60.75
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA1MAI0.75
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA2P0D0.75
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA,B1OQN0.75
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA1U290.75
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA,B1W2C0.75
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA,B1DJX0.75
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA2A980.75
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA1N4K0.75
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA,B3C5N0.75
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA1BTN0.75
IPDD-MYO-INOSITOL-1-PHOSPHATEA,B1IMA0.76
IPDD-MYO-INOSITOL-1-PHOSPHATEA,B1G0H0.76
IPDD-MYO-INOSITOL-1-PHOSPHATEA,B,C2ORK0.76
IPDD-MYO-INOSITOL-1-PHOSPHATEA,B1AWB0.76
IPDD-MYO-INOSITOL-1-PHOSPHATEA,B1LBX0.76
M2PD-MANNITOL-1,6-DIPHOSPHATEA2Q8J0.76
M2PD-MANNITOL-1,6-DIPHOSPHATEA,B,C,D2QDH0.76
M2PD-MANNITOL-1,6-DIPHOSPHATEA,B,C,D1ZAJ0.76
I1N(2S,3R,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXANONEA,B2IBN0.76
ITPPHOSPHORIC ACID MONO-(2,3,4,6-TETRAHYDROXY-
5-PHOSPHONOOXY-CYCLOHEXYL) ESTER		A,B1JOC0.75
ITPPHOSPHORIC ACID MONO-(2,3,4,6-TETRAHYDROXY-
5-PHOSPHONOOXY-CYCLOHEXYL) ESTER		A1HYI0.75
LFC6-DEOXY-L-GALACTONIC ACIDA2HXU0.72
GLOD-GLUCOSE IN LINEAR FORMA,B1XYB0.75
GLOD-GLUCOSE IN LINEAR FORMA1FQD0.75
GLOD-GLUCOSE IN LINEAR FORMA,B1XYM0.75
GLOD-GLUCOSE IN LINEAR FORMA,B1EZ90.75
GLOD-GLUCOSE IN LINEAR FORMA1FBO0.75
GLOD-GLUCOSE IN LINEAR FORMA1AC00.75
GLOD-GLUCOSE IN LINEAR FORMA1FQC0.75
DRZ3',4'-DIHYDROXY-PENTANAL-5'-PHOSPHATEA,C1M3Q0.75
LXPL-XYLITOL 5-PHOSPHATEA,B1Q6Q0.73
I2PD-MYO-INOSITOL-2,4,5-TRIPHOSPHATEA,B1DJY0.75
DXP1-DEOXY-D-XYLULOSE-5-PHOSPHATEB,C,D,E,F,G,H3GK00.86
DXP1-DEOXY-D-XYLULOSE-5-PHOSPHATEA,B,C,E,F,G1M5W0.86
DXP1-DEOXY-D-XYLULOSE-5-PHOSPHATEA,B,C,D1IXN0.86
DXP1-DEOXY-D-XYLULOSE-5-PHOSPHATEA,B1Q0Q0.86
P6F1,6-di-O-phosphono-D-fructoseA,B3GB60.94
RUBRIBULOSE-1,5-DIPHOSPHATEA,B9RUB0.92
RUBRIBULOSE-1,5-DIPHOSPHATEB,E,H,K,L,O,
R,V		1RCX0.92
RUBRIBULOSE-1,5-DIPHOSPHATEB,E,H,L1RXO0.92
R525-O-phosphono-D-riboseA,B,C,D,E2VVP0.83
DERD-4-PHOSPHOERYTHRONIC ACIDA,B,C,D1LK70.81
DERD-4-PHOSPHOERYTHRONIC ACIDA,B2CXO0.81
5RPRIBULOSE-5-PHOSPHATEA,B1XBY0.94
5RPRIBULOSE-5-PHOSPHATEA,B1XBX0.94
5RPRIBULOSE-5-PHOSPHATEA1UJ50.94
5RPRIBULOSE-5-PHOSPHATEA,B1PVY0.94
5RPRIBULOSE-5-PHOSPHATEA2RIU0.94
5RPRIBULOSE-5-PHOSPHATEA,B1SNN0.94
5RPRIBULOSE-5-PHOSPHATEA,B1TKU0.94
5RPRIBULOSE-5-PHOSPHATEA,B3HHE0.94
5RPRIBULOSE-5-PHOSPHATEA,B1XBV0.94
5RPRIBULOSE-5-PHOSPHATEA,B,C2ISS0.94
5RPRIBULOSE-5-PHOSPHATEA,B,C2IYP0.94
5RPRIBULOSE-5-PHOSPHATEA,B,C,D,E2VVP0.94
I5PINOSITOL-(1,3,4,5,6)-PENTAKISPHOSPHATEA,B1FHW0.71
IP2D-MYO-INOSITOL-4,5-BISPHOSPHATEA1HG20.75
IP2D-MYO-INOSITOL-4,5-BISPHOSPHATEA,B1DJZ0.75
AHM2,5-ANHYDROMANNITOL-1,6-DIPHOSPHATEA,B1FBG0.71
AHM2,5-ANHYDROMANNITOL-1,6-DIPHOSPHATEA,B1FBF0.71
2IPD-MYO-INOSITOL-1,4-BISPHOSPHATEA1I9Z0.75
DG62-DEOXY-GLUCITOL-6-PHOSPHATEA,B1JKI0.8
LIPL-MYO-INOSITOL-1-PHOSPHATEA,B1IMB0.76
LIPL-MYO-INOSITOL-1-PHOSPHATEA,B3C4V0.76
R105-O-phosphono-D-ribonic acidA,B,C,D,E2VVQ0.83
S6PD-SORBITOL-6-PHOSPHATEA,B2CXQ0.8
S6PD-SORBITOL-6-PHOSPHATEA,B1XTB0.8
S6PD-SORBITOL-6-PHOSPHATEA,B2GC10.8
S6PD-SORBITOL-6-PHOSPHATEA,B,C,D,E,F3CTL0.8
HMS5-O-phosphono-L-ribuloseA,B1XBX0.94
GKRD-GLUCARATEA3CXT0.75
GKRD-GLUCARATEA,B1JCT0.75
GCOGLUCONIC ACIDB,C,D1BGG0.73
GCOGLUCONIC ACIDA,B1XLF0.73
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		2DCN0.75
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA1U270.71
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA1FAO0.71
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA2UZS0.71
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA1H100.71
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA,B2R0D0.71
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA,B1B550.71
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA1W1D0.71
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA,B1BWN0.71
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA,B1W2D0.71
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA,B1FHX0.71
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA,B2R090.71
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA1UNQ0.71
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA1UPR0.71
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA1FGY0.71
XBPXYLULOSE-1,5-BISPHOSPHATEA,B,C,D,E,F,
G,H		1RSC0.92
1NT(2R,4R,5R,6R,7R)-2,4,5,6,7-PENTAHYDROXY-
2,8-BIS(PHOSPHONOOXY)OCTANOIC ACID		A,B2NXG0.73
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		2NX30.73
FPCD-FRUCTOSE-6-PHOSPHATE (OPEN FORM)A,B1FQO0.8
FPCD-FRUCTOSE-6-PHOSPHATE (OPEN FORM)A,B2GC20.8
LI52-HYDROXY-4,5-DIOXOHEPTYL HYDROGEN PHOSPHONATEA,B1YCD0.78
KDP2-KETO-DEOXY-GALACTOSEA2V820.88
TAGD-tagatoseA,B,C,D2QUM0.82
DXG4-DEOXYGLUCARATEA,B,C,D1ECQ0.73
XDPD-XYLULOSE-2,2-DIOL-1,5-BISPHOSPHATEB,E,H,K,L,O,
R,V		1RCO0.71
IP5(1R,2S,3R,4S,5S,6R)-6-HYDROXYCYCLOHEXANE-
1,2,3,4,5-PENTAYL PENTAKIS[DIHYDROGEN (PHOSPHATE)]		A,B,C2I5C0.71
R5PRIBOSE-5-PHOSPHATEA,B,C,D1U9Z0.73
R5PRIBOSE-5-PHOSPHATEA1V8T0.73
R5PRIBOSE-5-PHOSPHATEA,B1ZHA0.73
R5PRIBOSE-5-PHOSPHATEA,B1ZJI0.73
R5PRIBOSE-5-PHOSPHATEA,B1JCY0.73
R5PRIBOSE-5-PHOSPHATEA,B2R5N0.73
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A,B,C,D1FDJ0.94
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A,B6ALD0.94
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A,B,C,D1ZAI0.94
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A,B,C,D2QDG0.94
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A3ELF0.94
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A4ALD0.94
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A1UMG0.94
FUDD-fructoseA,B,C,D2QUN0.82
LGTL-GLUCARIC ACIDA,B,C,D3CB30.75
LGTL-GLUCARIC ACIDA,B,C2PP30.75
XULD-XYLULOSEA3CWH0.8
XULD-XYLULOSEA1XII0.8
XULD-XYLULOSEA,B2ITM0.8
DX5D-XYLITOL-5-PHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L		2FLI0.73
G6QGLUCOSE-6-PHOSPHATEA,B3FF10.87
G6QGLUCOSE-6-PHOSPHATEA,B,C2O2C0.87
G6QGLUCOSE-6-PHOSPHATEA,B2J6H0.87
G6QGLUCOSE-6-PHOSPHATEA,B1JXA0.87
G6QGLUCOSE-6-PHOSPHATEA,B1U0F0.87
G6QGLUCOSE-6-PHOSPHATEA,B1X9I0.87
5IP(1R,2R,3R,4R,5S,6S)-6-HYDROXYCYCLOHEXANE-
1,2,3,4,5-PENTAYL PENTAKIS[DIHYDROGEN (PHOSPHATE)]		A2I5F0.71
KDG2-KETO-3-DEOXYGLUCONATEA,B1V1A0.75
KDG2-KETO-3-DEOXYGLUCONATEA,B,C2VAR0.75
KDG2-KETO-3-DEOXYGLUCONATEA,B,C,D2QJN0.75
P6T1,6-di-O-phosphono-D-tagatoseA,B3GAY0.94
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEL1RLC0.76
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		1IR20.76
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H		1RBL0.76
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,E,H,I,
J,K,M,O,P,R,
T,V,W		1UW90.76
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D4RUB0.76
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,C,E,G8RUC0.76
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,D,E,H,K,
O,R,V		1UWA0.76
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2VDH0.76
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2V630.76
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,E,F,H,
I,J,K,M,O,P,
R,T,V,W		1UZD0.76
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2VDI0.76
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,C,E,G,I,K,
M,O		1GK80.76
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2V6A0.76
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,C,E,G1UPP0.76
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2V690.76
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,E,F,H,
J,K,M,O,P,R,
T,V,W		1UZH0.76
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,C,E,G1BWV0.76
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,E,S,W1WDD0.76
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEB,E,H,K,L,O,
R,V		1UPM0.76
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,S,T,
U,V		1IR10.76
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2V670.76
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEB,E,H,L1RBO0.76
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2V680.76
S703-HYDROXY-2-OXO-4-PHOPHONOXY- BUTYL)-
PHOSPHONIC ACID		A,B,C,D1QXS0.75
LG6L-GULURONIC ACID 6-PHOSPHATEA,B1KW10.86
LG6L-GULURONIC ACID 6-PHOSPHATEA,B1Q6O0.86
F6RFRUCTOSE -6-PHOSPHATEA,B1X9H0.96
F6RFRUCTOSE -6-PHOSPHATEA,B,C,D2PUT0.96
F6RFRUCTOSE -6-PHOSPHATEA,B2BKX0.96
F6RFRUCTOSE -6-PHOSPHATEA,B,C2BPL0.96
F6RFRUCTOSE -6-PHOSPHATEA,B1FQO0.96
F6RFRUCTOSE -6-PHOSPHATEA,B,C,D2V4M0.96
I4P(1S,3R,4R,6S)-1,3,4,6-TETRAPKISPHOSPHATEX1Z2O0.71
AOSD-ALLOSEA,B,C,D2I570.75
A5PARABINOSE-5-PHOSPHATEA1UJ60.73
A5PARABINOSE-5-PHOSPHATEA,B1FXQ0.73
A5PARABINOSE-5-PHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L		2NX30.73
A5PARABINOSE-5-PHOSPHATEA,B1LRQ0.73
A5PARABINOSE-5-PHOSPHATEA,B2CXP0.73
A5PARABINOSE-5-PHOSPHATEA,B1T8X0.73
A5PARABINOSE-5-PHOSPHATEA,B2EF90.73
A5PARABINOSE-5-PHOSPHATEA,B1FY60.73
A5PARABINOSE-5-PHOSPHATEA,B2NWS0.73
A5PARABINOSE-5-PHOSPHATEA,B2NXG0.73
A5PARABINOSE-5-PHOSPHATEA,B2A2I0.73
A5PARABINOSE-5-PHOSPHATEA,B1FWW0.73
I22D-ALTRO-HEPT-2-ULOSE 7-PHOSPHATEB2I220.89
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		2QJG0.76
F2P1,6-DI-O-PHOSPHONO-D-ALLITOLA,B,C,D,E,F,
G,H,I,J		1W8R0.76
PA55-PHOSPHOARABINONIC ACIDA1NUH0.83
PA55-PHOSPHOARABINONIC ACIDA1X820.83
PA55-PHOSPHOARABINONIC ACIDA,B1QXR0.83
PA55-PHOSPHOARABINONIC ACIDA,B1G980.83
PA55-PHOSPHOARABINONIC ACIDA,B1TZC0.83
PA55-PHOSPHOARABINONIC ACIDA1GZV0.83
PA55-PHOSPHOARABINONIC ACIDA1X7N0.83
PA55-PHOSPHOARABINONIC ACIDA1C7R0.83
DNOD-mannoseA3BDK0.75
6PG6-PHOSPHOGLUCONIC ACIDA1PGP0.86
6PG6-PHOSPHOGLUCONIC ACIDA,B1J3R0.86
6PG6-PHOSPHOGLUCONIC ACIDA,B1QY40.86
6PG6-PHOSPHOGLUCONIC ACIDA,B2W8Z0.86
6PG6-PHOSPHOGLUCONIC ACIDA,B3E7F0.86
6PG6-PHOSPHOGLUCONIC ACIDA,B2W900.86
6PG6-PHOSPHOGLUCONIC ACIDA,B1KO80.86
6PG6-PHOSPHOGLUCONIC ACIDA,B2CXR0.86
6PG6-PHOSPHOGLUCONIC ACIDA2IYO0.86
6PG6-PHOSPHOGLUCONIC ACIDA,B1DQR0.86
3MF3-O-METHYLFRUCTOSE IN LINEAR FORMA,B1XYC0.76
DEZ4-PHOSPHO-D-ERYTHRONATEA,B,C,D,E2BET0.81
IBSL-ALPHA-GLYCEROPHOSPHO-D-MYO-INOSITOL-
4,5-BIS-PHOSPHATE		A1I7E0.8