MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03750925

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

Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
20S	BETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL- ALPHA-D-GLUCOPYRANOSIDE	A,B	2FAF	0.73
20S	BETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL- ALPHA-D-GLUCOPYRANOSIDE	A,B,C,D	2FAH	0.73
20S	BETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL- ALPHA-D-GLUCOPYRANOSIDE	A,B	2QZY	0.73
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)	A	1X1J	0.84
AD0	DIGALACTURONIC ACID	A,B	2UVF	0.82
B2G	GALACTOBIOSE	A,B	2CCR	0.8
B2G	GALACTOBIOSE	A,B	2J74	0.8
B2G	GALACTOBIOSE	A,B	1UR4	0.8
1GL	4-O-METHYL-2,6-DIDEOXY-ALPHA-D- GALACTO-HEXOPYRANOSE	A,B,C,D	1VAQ	0.73
1GL	4-O-METHYL-2,6-DIDEOXY-ALPHA-D- GALACTO-HEXOPYRANOSE	A,B	1EKH	0.73
1GL	4-O-METHYL-2,6-DIDEOXY-ALPHA-D- GALACTO-HEXOPYRANOSE	A,B	1EKI	0.73
1GL	4-O-METHYL-2,6-DIDEOXY-ALPHA-D- GALACTO-HEXOPYRANOSE	A,B	1D83	0.73
2FL	2-FLUORO-2-DEOXY-LACTOSE	I,J,K,L,M,N, O,P	1JYZ	0.77
2FL	2-FLUORO-2-DEOXY-LACTOSE	A,B,C,D,E,F, G,H	1JYY	0.77
B4G	GALACTOTRIOSE	A,B	2CCR	0.74
B4G	GALACTOTRIOSE	A,B	2J74	0.74
B4G	GALACTOTRIOSE	A,B	1UR0	0.74
3MG	3-O-methyl-beta-D-glucopyranose	A	2QW1	0.73
ARI	[O4]-ACETOXY-2,3-DIDEOXYFUCOSE	A,B	1D83	0.78
ARI	[O4]-ACETOXY-2,3-DIDEOXYFUCOSE	A,B,C,D	1VAQ	0.78
2GL	4-O-ACETYL-2,6-DIDEOXY-ALPHA-D- GALACTO-HEXOPYRANOSE	A,B	1EKH	0.81
2GL	4-O-ACETYL-2,6-DIDEOXY-ALPHA-D- GALACTO-HEXOPYRANOSE	A,B	1EKI	0.81
AMG	ALPHA-METHYL-D-GALACTOSIDE	A,C,E,G	1TP8	0.76
AMG	ALPHA-METHYL-D-GALACTOSIDE	A,B,C,D	1BXH	0.76
AMG	ALPHA-METHYL-D-GALACTOSIDE	A,C,E,G	1WS4	0.76
AMG	ALPHA-METHYL-D-GALACTOSIDE	A,B,C,D,E,F, G,H	1FAY	0.76
AMG	ALPHA-METHYL-D-GALACTOSIDE	A	3CA5	0.76
AMG	ALPHA-METHYL-D-GALACTOSIDE	A,C,E,G	1UH1	0.76
AMG	ALPHA-METHYL-D-GALACTOSIDE	A,B	1F9K	0.76
AMG	ALPHA-METHYL-D-GALACTOSIDE	A,B	2Z49	0.76
AMG	ALPHA-METHYL-D-GALACTOSIDE	A,C,E,G	1TOQ	0.76
AMG	ALPHA-METHYL-D-GALACTOSIDE	A,B,C,D	1WBL	0.76
AMG	ALPHA-METHYL-D-GALACTOSIDE	A,C,E,G	1JAC	0.76
ALL	D-ALLOPYRANOSE	A	1RPJ	0.71
46M	(4AR,6R,7S,8R,8AS)-HEXAHYDRO-6,7,8- TRIHYDROXY-2-METHYLPYRANO[3,2-D][1,3]DIOXINE- 2-CARBOXYLIC ACID	A	1X1I	1
2DG	2-DEOXY-BETA-D-GALACTOSE	A,B,C,D	1JZ3	0.71
2DG	2-DEOXY-BETA-D-GALACTOSE	A,B,C,D	1JZ4	0.71
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	C,D	2NST	0.75
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	A	1GXO	0.75
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	A	2EWE	0.75
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	A	2UVH	0.75
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	A	2O04	0.75
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	C,D	2NTB	0.75
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	C,D	2NT9	0.75
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	A	2NZM	0.75
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	A,B	2Z8S	0.75
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	A	2UVJ	0.75
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	A	2O0V	0.75
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	C,D	2NSP	0.75
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	A,B	3B8Y	0.75
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	C,D	2NT6	0.75
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	A	2O17	0.75
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	C,D	2NTP	0.75
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	A	2O1D	0.75
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	C,D	2NTQ	0.75
2OS	3-N-OCTANOYLSUCROSE	A,B	1T3I	0.73
0BD	3-methyl-1-(2-methylpropyl)butyl 4- O-beta-L-gulopyranosyl-beta-D-glucopyranoside	A,B	3FQQ	0.72
ARW	METHYL BETA-D-ARABINOPYRANOSIDE	A,B,C,D	2BOJ	0.71
ABE	ABEQUOSE	H,L	1MFE	0.73
ABE	ABEQUOSE	H	1MFA	0.73
ABE	ABEQUOSE	A,B,C	2J60	0.73
ABE	ABEQUOSE	H	1MFC	0.73
ABE	ABEQUOSE	H	1MFD	0.73
ABE	ABEQUOSE	H	1MFB	0.73
ABE	ABEQUOSE	A	1TYX	0.73
2GS	2-O-METHYL-ALPHA-D-GALACTOPYRANOSE	A,B,C,D	2DTW	0.75