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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03090036

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7R0.89
BDPBETA-D-GALACTOPYRANURONIC ACIDA3C9E0.89
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LOH0.89
BDPBETA-D-GALACTOPYRANURONIC ACIDA1CAP0.89
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HM30.89
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HUA0.89
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXK0.89
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQK0.89
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1ON80.89
BDPBETA-D-GALACTOPYRANURONIC ACIDP2BVK0.89
BDPBETA-D-GALACTOPYRANURONIC ACIDA2JCR0.89
BDPBETA-D-GALACTOPYRANURONIC ACIDA1LXM0.89
BDPBETA-D-GALACTOPYRANURONIC ACIDA1HMW0.89
BDPBETA-D-GALACTOPYRANURONIC ACIDA3HYA0.89
BDPBETA-D-GALACTOPYRANURONIC ACIDA,B1GQL0.89
BDPBETA-D-GALACTOPYRANURONIC ACIDA1OFM0.89
BDPBETA-D-GALACTOPYRANURONIC ACIDA1N7Q0.89
AD0DIGALACTURONIC ACIDA,B2UVF0.83
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
2DCN0.91
A6P6-O-phosphono-alpha-D-allopyranoseA,B,C,D,E2VVO0.75
CS2D-MANNONIC ACIDA,B,C,D2QJM0.74
CS2D-MANNONIC ACIDA,B3DBN0.74
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A,B,C,D1FDJ0.75
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A,B6ALD0.75
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A,B,C,D1ZAI0.75
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A,B,C,D2QDG0.75
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A3ELF0.75
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A4ALD0.75
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A1UMG0.75
BEMbeta-D-mannuronic acidA2ZAA0.89
BEMbeta-D-mannuronic acidA2ZAC0.89
BEMbeta-D-mannuronic acidA2ZAB0.89
BEMbeta-D-mannuronic acidA1Y3N0.89
BEMbeta-D-mannuronic acidA1Y3P0.89
BEMbeta-D-mannuronic acidA,B1J1N0.89
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)
A1X1J0.78
DO83-DEOXY-D-MANNO-2-OCTULOSONATE-
8-PHOSPHATE
A1X6U0.87
3PI(1S)-2-(1-HYDROXYBUTOXY)-1-{[(HYDROXY{[(2R,3S,5R,6S)-
2,4,6-TRIHYDROXY-3,5-BIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL)OXY]METHYL}ETHYL BUTYRATE
A1ZVR0.74
DG04-O-alpha-D-galactopyranuronosyl-
alpha-D-galactopyranuronic acid
A3DYB0.83
BGPBETA-GALACTOSE-6-PHOSPHATEA,B4PBG0.75
1NT(2R,4R,5R,6R,7R)-2,4,5,6,7-PENTAHYDROXY-
2,8-BIS(PHOSPHONOOXY)OCTANOIC ACID
A,B2NXG0.74
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
2NX30.74
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NST0.89
ADAALPHA-D-GALACTOPYRANURONIC ACIDA1GXO0.89
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2EWE0.89
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVH0.89
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O040.89
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTB0.89
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT90.89
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2NZM0.89
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B2Z8S0.89
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2UVJ0.89
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O0V0.89
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NSP0.89
ADAALPHA-D-GALACTOPYRANURONIC ACIDA,B3B8Y0.89
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NT60.89
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O170.89
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTP0.89
ADAALPHA-D-GALACTOPYRANURONIC ACIDA2O1D0.89
ADAALPHA-D-GALACTOPYRANURONIC ACIDC,D2NTQ0.89
D6G2-DEOXY-GLUCOSE-6-PHOSPHATEA2PRI0.75
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEL1RLC0.71
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
1IR20.71
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H
1RBL0.71
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,E,H,I,
J,K,M,O,P,R,
T,V,W
1UW90.71
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D4RUB0.71
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,C,E,G8RUC0.71
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,D,E,H,K,
O,R,V
1UWA0.71
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDH0.71
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V630.71
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,E,F,H,
I,J,K,M,O,P,
R,T,V,W
1UZD0.71
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDI0.71
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,C,E,G,I,K,
M,O
1GK80.71
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V6A0.71
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,C,E,G1UPP0.71
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V690.71
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,E,F,H,
J,K,M,O,P,R,
T,V,W
1UZH0.71
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,C,E,G1BWV0.71
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,E,S,W1WDD0.71
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEB,E,H,K,L,O,
R,V
1UPM0.71
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,S,T,
U,V
1IR10.71
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V670.71
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEB,E,H,L1RBO0.71
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V680.71
6PG6-PHOSPHOGLUCONIC ACIDA1PGP0.85
6PG6-PHOSPHOGLUCONIC ACIDA,B1J3R0.85
6PG6-PHOSPHOGLUCONIC ACIDA,B1QY40.85
6PG6-PHOSPHOGLUCONIC ACIDA,B2W8Z0.85
6PG6-PHOSPHOGLUCONIC ACIDA,B3E7F0.85
6PG6-PHOSPHOGLUCONIC ACIDA,B2W900.85
6PG6-PHOSPHOGLUCONIC ACIDA,B1KO80.85
6PG6-PHOSPHOGLUCONIC ACIDA,B2CXR0.85
6PG6-PHOSPHOGLUCONIC ACIDA2IYO0.85
6PG6-PHOSPHOGLUCONIC ACIDA,B1DQR0.85
149D-GALCTOPYRANOSYL-1-ONA,B,C,D1JZ50.82
149D-GALCTOPYRANOSYL-1-ONA,B,C,D3CZJ0.82
BG6BETA-D-GLUCOSE-6-PHOSPHATEA2CIR0.75
BG6BETA-D-GLUCOSE-6-PHOSPHATEA,B3BXG0.75
BG6BETA-D-GLUCOSE-6-PHOSPHATEA,B,C,D2POC0.75
BG6BETA-D-GLUCOSE-6-PHOSPHATEA,B2PUW0.75
BG6BETA-D-GLUCOSE-6-PHOSPHATEA1E7Y0.75
BG6BETA-D-GLUCOSE-6-PHOSPHATEA,B2NZT0.75
BG6BETA-D-GLUCOSE-6-PHOSPHATEA1E770.75
BG6BETA-D-GLUCOSE-6-PHOSPHATEA,B2BHL0.75
BG6BETA-D-GLUCOSE-6-PHOSPHATEA,B2Q8M0.75
BG6BETA-D-GLUCOSE-6-PHOSPHATEG,L2NZU0.75
4PT(2R)-3-{[(S)-{[(2S,3R,5S,6S)-2,6-
DIHYDROXY-3,4,5-TRIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
2-(1-HYDROXYBUTOXY)PROPYL BUTYRATE
A1W1G0.73
4PT(2R)-3-{[(S)-{[(2S,3R,5S,6S)-2,6-
DIHYDROXY-3,4,5-TRIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
2-(1-HYDROXYBUTOXY)PROPYL BUTYRATE
A,B,C,D2Z0P0.73