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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03078936

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A,B,C,D1FDJ0.91
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A,B6ALD0.91
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A,B,C,D1ZAI0.91
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A,B,C,D2QDG0.91
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A3ELF0.91
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A4ALD0.91
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A1UMG0.91
DNOD-mannoseA3BDK0.79
KD03-deoxy-8-O-phosphono-D-manno-oct-
2-ulosonic acid
A,B3E120.9
R105-O-phosphono-D-ribonic acidA,B,C,D,E2VVQ0.81
E4PERYTHOSE-4-PHOSPHATEA,B1NGS0.7
E4PERYTHOSE-4-PHOSPHATEA,B1U0G0.7
E4PERYTHOSE-4-PHOSPHATEA,B1FWT0.7
E4PERYTHOSE-4-PHOSPHATEA,B1RZM0.7
E4PERYTHOSE-4-PHOSPHATEA,B,C,D1IRI0.7
G6QGLUCOSE-6-PHOSPHATEA,B3FF10.91
G6QGLUCOSE-6-PHOSPHATEA,B,C2O2C0.91
G6QGLUCOSE-6-PHOSPHATEA,B2J6H0.91
G6QGLUCOSE-6-PHOSPHATEA,B1JXA0.91
G6QGLUCOSE-6-PHOSPHATEA,B1U0F0.91
G6QGLUCOSE-6-PHOSPHATEA,B1X9I0.91
IBSL-ALPHA-GLYCEROPHOSPHO-D-MYO-INOSITOL-
4,5-BIS-PHOSPHATE
A1I7E0.72
3LR3,6-dideoxy-L-arabino-hexonic acidA,B3CXO0.73
GCOGLUCONIC ACIDB,C,D1BGG0.78
GCOGLUCONIC ACIDA,B1XLF0.78
AOSD-ALLOSEA,B,C,D2I570.79
I1N(2S,3R,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXANONEA,B2IBN0.81
R525-O-phosphono-D-riboseA,B,C,D,E2VVP0.81
6PG6-PHOSPHOGLUCONIC ACIDA1PGP0.9
6PG6-PHOSPHOGLUCONIC ACIDA,B1J3R0.9
6PG6-PHOSPHOGLUCONIC ACIDA,B1QY40.9
6PG6-PHOSPHOGLUCONIC ACIDA,B2W8Z0.9
6PG6-PHOSPHOGLUCONIC ACIDA,B3E7F0.9
6PG6-PHOSPHOGLUCONIC ACIDA,B2W900.9
6PG6-PHOSPHOGLUCONIC ACIDA,B1KO80.9
6PG6-PHOSPHOGLUCONIC ACIDA,B2CXR0.9
6PG6-PHOSPHOGLUCONIC ACIDA2IYO0.9
6PG6-PHOSPHOGLUCONIC ACIDA,B1DQR0.9
DQA1,3,4-TRIHYDROXY-5-OXO-CYCLOHEXANECARBOXYLIC ACIDA1J2Y0.71
1NT(2R,4R,5R,6R,7R)-2,4,5,6,7-PENTAHYDROXY-
2,8-BIS(PHOSPHONOOXY)OCTANOIC ACID
A,B2NXG0.83
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
2NX30.83
KDP2-KETO-DEOXY-GALACTOSEA2V820.91
DG62-DEOXY-GLUCITOL-6-PHOSPHATEA,B1JKI0.71
P6T1,6-di-O-phosphono-D-tagatoseA,B3GAY0.91
3MF3-O-METHYLFRUCTOSE IN LINEAR FORMA,B1XYC0.75
S6PD-SORBITOL-6-PHOSPHATEA,B2CXQ0.71
S6PD-SORBITOL-6-PHOSPHATEA,B1XTB0.71
S6PD-SORBITOL-6-PHOSPHATEA,B2GC10.71
S6PD-SORBITOL-6-PHOSPHATEA,B,C,D,E,F3CTL0.71
CS2D-MANNONIC ACIDA,B,C,D2QJM0.78
CS2D-MANNONIC ACIDA,B3DBN0.78
KDG2-KETO-3-DEOXYGLUCONATEA,B1V1A0.79
KDG2-KETO-3-DEOXYGLUCONATEA,B,C2VAR0.79
KDG2-KETO-3-DEOXYGLUCONATEA,B,C,D2QJN0.79
LGTL-GLUCARIC ACIDA,B,C,D3CB30.79
LGTL-GLUCARIC ACIDA,B,C2PP30.79
DEZ4-PHOSPHO-D-ERYTHRONATEA,B,C,D,E2BET0.72
LG6L-GULURONIC ACID 6-PHOSPHATEA,B1KW10.9
LG6L-GULURONIC ACID 6-PHOSPHATEA,B1Q6O0.9
RSH3-DEOXY-D-LYXO-HEXONIC ACIDA,B,C,D1W3T0.74
DRZ3',4'-DIHYDROXY-PENTANAL-5'-PHOSPHATEA,C1M3Q0.74
RNSL-RHAMNOSEA,B,C,D1X8D0.72
RNSL-RHAMNOSEA,B,C,D1DE60.72
RNSL-RHAMNOSEA,B,C,D2I560.72
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEL1RLC0.75
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
1IR20.75
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H
1RBL0.75
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,E,H,I,
J,K,M,O,P,R,
T,V,W
1UW90.75
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D4RUB0.75
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,C,E,G8RUC0.75
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,D,E,H,K,
O,R,V
1UWA0.75
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDH0.75
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V630.75
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,E,F,H,
I,J,K,M,O,P,
R,T,V,W
1UZD0.75
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDI0.75
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,C,E,G,I,K,
M,O
1GK80.75
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V6A0.75
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,C,E,G1UPP0.75
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V690.75
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,E,F,H,
J,K,M,O,P,R,
T,V,W
1UZH0.75
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,C,E,G1BWV0.75
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,E,S,W1WDD0.75
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEB,E,H,K,L,O,
R,V
1UPM0.75
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,S,T,
U,V
1IR10.75
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V670.75
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEB,E,H,L1RBO0.75
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V680.75
DXP1-DEOXY-D-XYLULOSE-5-PHOSPHATEB,C,D,E,F,G,H3GK00.77
DXP1-DEOXY-D-XYLULOSE-5-PHOSPHATEA,B,C,E,F,G1M5W0.77
DXP1-DEOXY-D-XYLULOSE-5-PHOSPHATEA,B,C,D1IXN0.77
DXP1-DEOXY-D-XYLULOSE-5-PHOSPHATEA,B1Q0Q0.77
LI52-HYDROXY-4,5-DIOXOHEPTYL HYDROGEN PHOSPHONATEA,B1YCD0.82
LFC6-DEOXY-L-GALACTONIC ACIDA2HXU0.76
GC12,6-ANHYDRO-L-GULONIC ACIDA1HUA0.7
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
2DCN0.79
5RPRIBULOSE-5-PHOSPHATEA,B1XBY0.84
5RPRIBULOSE-5-PHOSPHATEA,B1XBX0.84
5RPRIBULOSE-5-PHOSPHATEA1UJ50.84
5RPRIBULOSE-5-PHOSPHATEA,B1PVY0.84
5RPRIBULOSE-5-PHOSPHATEA2RIU0.84
5RPRIBULOSE-5-PHOSPHATEA,B1SNN0.84
5RPRIBULOSE-5-PHOSPHATEA,B1TKU0.84
5RPRIBULOSE-5-PHOSPHATEA,B3HHE0.84
5RPRIBULOSE-5-PHOSPHATEA,B1XBV0.84
5RPRIBULOSE-5-PHOSPHATEA,B,C2ISS0.84
5RPRIBULOSE-5-PHOSPHATEA,B,C2IYP0.84
5RPRIBULOSE-5-PHOSPHATEA,B,C,D,E2VVP0.84
GKRD-GLUCARATEA3CXT0.79
GKRD-GLUCARATEA,B1JCT0.79
PA55-PHOSPHOARABINONIC ACIDA1NUH0.81
PA55-PHOSPHOARABINONIC ACIDA1X820.81
PA55-PHOSPHOARABINONIC ACIDA,B1QXR0.81
PA55-PHOSPHOARABINONIC ACIDA,B1G980.81
PA55-PHOSPHOARABINONIC ACIDA,B1TZC0.81
PA55-PHOSPHOARABINONIC ACIDA1GZV0.81
PA55-PHOSPHOARABINONIC ACIDA1X7N0.81
PA55-PHOSPHOARABINONIC ACIDA1C7R0.81
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
M1E6X0.71
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A,B2E400.71
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A2VWG0.71
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A,B3EQO0.71
TAGD-tagatoseA,B,C,D2QUM0.8
HMS5-O-phosphono-L-ribuloseA,B1XBX0.84
149D-GALCTOPYRANOSYL-1-ONA,B,C,D1JZ50.71
149D-GALCTOPYRANOSYL-1-ONA,B,C,D3CZJ0.71
DO83-DEOXY-D-MANNO-2-OCTULOSONATE-
8-PHOSPHATE
A1X6U0.75
I22D-ALTRO-HEPT-2-ULOSE 7-PHOSPHATEB2I221
FUDD-fructoseA,B,C,D2QUN0.8
SSH3-DEOXY-D-ARABINO-HEXONIC ACIDA,B,C,D1W3N0.74
RUBRIBULOSE-1,5-DIPHOSPHATEA,B9RUB0.82
RUBRIBULOSE-1,5-DIPHOSPHATEB,E,H,K,L,O,
R,V
1RCX0.82
RUBRIBULOSE-1,5-DIPHOSPHATEB,E,H,L1RXO0.82
FPCD-FRUCTOSE-6-PHOSPHATE (OPEN FORM)A,B1FQO0.71
FPCD-FRUCTOSE-6-PHOSPHATE (OPEN FORM)A,B2GC20.71
GLOD-GLUCOSE IN LINEAR FORMA,B1XYB0.79
GLOD-GLUCOSE IN LINEAR FORMA1FQD0.79
GLOD-GLUCOSE IN LINEAR FORMA,B1XYM0.79
GLOD-GLUCOSE IN LINEAR FORMA,B1EZ90.79
GLOD-GLUCOSE IN LINEAR FORMA1FBO0.79
GLOD-GLUCOSE IN LINEAR FORMA1AC00.79
GLOD-GLUCOSE IN LINEAR FORMA1FQC0.79
DXG4-DEOXYGLUCARATEA,B,C,D1ECQ0.78
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1EC80.75
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1JDF0.75
F6RFRUCTOSE -6-PHOSPHATEA,B1X9H0.93
F6RFRUCTOSE -6-PHOSPHATEA,B,C,D2PUT0.93
F6RFRUCTOSE -6-PHOSPHATEA,B2BKX0.93
F6RFRUCTOSE -6-PHOSPHATEA,B,C2BPL0.93
F6RFRUCTOSE -6-PHOSPHATEA,B1FQO0.93
F6RFRUCTOSE -6-PHOSPHATEA,B,C,D2V4M0.93
P6F1,6-di-O-phosphono-D-fructoseA,B3GB60.91
XBPXYLULOSE-1,5-BISPHOSPHATEA,B,C,D,E,F,
G,H
1RSC0.82
XULD-XYLULOSEA3CWH0.71
XULD-XYLULOSEA1XII0.71
XULD-XYLULOSEA,B2ITM0.71
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID
A,B1XAI0.71
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID
A,B1NVD0.71
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID
A1XAG0.71
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID
A,B1NR50.71
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID
A,B1XAJ0.71
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID
A,B1XAL0.71
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID
A,B1DQS0.71
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID
A,B1NVB0.71
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID
A,B,C1NVF0.71
DERD-4-PHOSPHOERYTHRONIC ACIDA,B,C,D1LK70.72
DERD-4-PHOSPHOERYTHRONIC ACIDA,B2CXO0.72