MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03102120

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
3LR	3,6-dideoxy-L-arabino-hexonic acid	A,B	3CXO	0.73
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	C,D	2NST	0.9
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	A	1GXO	0.9
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	A	2EWE	0.9
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	A	2UVH	0.9
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	A	2O04	0.9
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	C,D	2NTB	0.9
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	C,D	2NT9	0.9
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	A	2NZM	0.9
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	A,B	2Z8S	0.9
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	A	2UVJ	0.9
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	A	2O0V	0.9
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	C,D	2NSP	0.9
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	A,B	3B8Y	0.9
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	C,D	2NT6	0.9
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	A	2O17	0.9
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	C,D	2NTP	0.9
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	A	2O1D	0.9
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	C,D	2NTQ	0.9
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	0.89
20S	BETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL- ALPHA-D-GLUCOPYRANOSIDE	A,B	2FAF	0.77
20S	BETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL- ALPHA-D-GLUCOPYRANOSIDE	A,B,C,D	2FAH	0.77
20S	BETA-D-FRUCTOFURANOSYL 6-O-OCTANOYL- ALPHA-D-GLUCOPYRANOSIDE	A,B	2QZY	0.77
CDG	METHYL 4,6-O-[(1R)-1-CARBOXYETHYLIDENE]- BETA-D-GALACTOPYRANOSIDE	A,B,C,D,E	1GYK	0.79
149	D-GALCTOPYRANOSYL-1-ON	A,B,C,D	1JZ5	0.85
149	D-GALCTOPYRANOSYL-1-ON	A,B,C,D	3CZJ	0.85
B7G	HEPTYL-BETA-D-GLUCOPYRANOSIDE	A,B	1Y0S	0.71
B7G	HEPTYL-BETA-D-GLUCOPYRANOSIDE	A,B	2B50	0.71
B7G	HEPTYL-BETA-D-GLUCOPYRANOSIDE	A,B	2ZNP	0.71
B7G	HEPTYL-BETA-D-GLUCOPYRANOSIDE	A,B	2AWH	0.71
B7G	HEPTYL-BETA-D-GLUCOPYRANOSIDE	A,B	2ZNQ	0.71
B7G	HEPTYL-BETA-D-GLUCOPYRANOSIDE	A	3GZ9	0.71
B7G	HEPTYL-BETA-D-GLUCOPYRANOSIDE	A,D	1QPF	0.71
B7G	HEPTYL-BETA-D-GLUCOPYRANOSIDE	A,B	2BAW	0.71
BDP	BETA-D-GALACTOPYRANURONIC ACID	A	1N7R	0.9
BDP	BETA-D-GALACTOPYRANURONIC ACID	A	3C9E	0.9
BDP	BETA-D-GALACTOPYRANURONIC ACID	A	1LOH	0.9
BDP	BETA-D-GALACTOPYRANURONIC ACID	A	1CAP	0.9
BDP	BETA-D-GALACTOPYRANURONIC ACID	A	1HM3	0.9
BDP	BETA-D-GALACTOPYRANURONIC ACID	A	1HUA	0.9
BDP	BETA-D-GALACTOPYRANURONIC ACID	A	1LXK	0.9
BDP	BETA-D-GALACTOPYRANURONIC ACID	A,B	1GQK	0.9
BDP	BETA-D-GALACTOPYRANURONIC ACID	A,B	1ON8	0.9
BDP	BETA-D-GALACTOPYRANURONIC ACID	P	2BVK	0.9
BDP	BETA-D-GALACTOPYRANURONIC ACID	A	2JCR	0.9
BDP	BETA-D-GALACTOPYRANURONIC ACID	A	1LXM	0.9
BDP	BETA-D-GALACTOPYRANURONIC ACID	A	1HMW	0.9
BDP	BETA-D-GALACTOPYRANURONIC ACID	A	3HYA	0.9
BDP	BETA-D-GALACTOPYRANURONIC ACID	A,B	1GQL	0.9
BDP	BETA-D-GALACTOPYRANURONIC ACID	A	1OFM	0.9
BDP	BETA-D-GALACTOPYRANURONIC ACID	A	1N7Q	0.9
46M	(4AR,6R,7S,8R,8AS)-HEXAHYDRO-6,7,8- TRIHYDROXY-2-METHYLPYRANO[3,2-D][1,3]DIOXINE- 2-CARBOXYLIC ACID	A	1X1I	0.78
AOS	D-ALLOSE	A,B,C,D	2I57	0.7
2FL	2-FLUORO-2-DEOXY-LACTOSE	I,J,K,L,M,N, O,P	1JYZ	0.71
2FL	2-FLUORO-2-DEOXY-LACTOSE	A,B,C,D,E,F, G,H	1JYY	0.71
B2G	GALACTOBIOSE	A,B	2CCR	0.73
B2G	GALACTOBIOSE	A,B	2J74	0.73
B2G	GALACTOBIOSE	A,B	1UR4	0.73
2GL	4-O-ACETYL-2,6-DIDEOXY-ALPHA-D- GALACTO-HEXOPYRANOSE	A,B	1EKH	0.75
2GL	4-O-ACETYL-2,6-DIDEOXY-ALPHA-D- GALACTO-HEXOPYRANOSE	A,B	1EKI	0.75
2OS	3-N-OCTANOYLSUCROSE	A,B	1T3I	0.77
CBI	CELLOBIOSE	A,B	1K72	0.73
CBI	CELLOBIOSE	A	1Z3T	0.73
CBI	CELLOBIOSE	A,B,C,D	2OVW	0.73
CBI	CELLOBIOSE	A,B	1TVP	0.73
CBI	CELLOBIOSE	A	2A3H	0.73
CBI	CELLOBIOSE	A	1OA7	0.73
CBI	CELLOBIOSE	A	2B1R	0.73
CBI	CELLOBIOSE	A,B,C,D	2RFY	0.73
CBI	CELLOBIOSE	A	3ENG	0.73
CBI	CELLOBIOSE	A	2OLH	0.73
CBI	CELLOBIOSE	A,B,C,D	2RG0	0.73
CBI	CELLOBIOSE	A	2O7I	0.73
CBI	CELLOBIOSE	A	2DWI	0.73
CBI	CELLOBIOSE	A	1G0C	0.73
CBI	CELLOBIOSE	A	1QI0	0.73
6PG	6-PHOSPHOGLUCONIC ACID	A	1PGP	0.72
6PG	6-PHOSPHOGLUCONIC ACID	A,B	1J3R	0.72
6PG	6-PHOSPHOGLUCONIC ACID	A,B	1QY4	0.72
6PG	6-PHOSPHOGLUCONIC ACID	A,B	2W8Z	0.72
6PG	6-PHOSPHOGLUCONIC ACID	A,B	3E7F	0.72
6PG	6-PHOSPHOGLUCONIC ACID	A,B	2W90	0.72
6PG	6-PHOSPHOGLUCONIC ACID	A,B	1KO8	0.72
6PG	6-PHOSPHOGLUCONIC ACID	A,B	2CXR	0.72
6PG	6-PHOSPHOGLUCONIC ACID	A	2IYO	0.72
6PG	6-PHOSPHOGLUCONIC ACID	A,B	1DQR	0.72
BEM	beta-D-mannuronic acid	A	2ZAA	0.9
BEM	beta-D-mannuronic acid	A	2ZAC	0.9
BEM	beta-D-mannuronic acid	A	2ZAB	0.9
BEM	beta-D-mannuronic acid	A	1Y3N	0.9
BEM	beta-D-mannuronic acid	A	1Y3P	0.9
BEM	beta-D-mannuronic acid	A,B	1J1N	0.9
BHG	2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO- PYRAN-3,4,5-TRIOL	A,B,C,D	1YQ3	0.73
BHG	2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO- PYRAN-3,4,5-TRIOL	A	1LZI	0.73
BHG	2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO- PYRAN-3,4,5-TRIOL	A,B,C,D,E,F, G,N,O,P,Q,R, S,T	1PP9	0.73
BHG	2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO- PYRAN-3,4,5-TRIOL	A,B	2GMH	0.73
BHG	2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO- PYRAN-3,4,5-TRIOL	A,B,C,D,E,F, G,O,P,Q,R,S,T	1PPJ	0.73
BHG	2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO- PYRAN-3,4,5-TRIOL	A	1WT1	0.73
BHG	2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO- PYRAN-3,4,5-TRIOL	A	1WT3	0.73
BHG	2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO- PYRAN-3,4,5-TRIOL	A	1LZJ	0.73
BHG	2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO- PYRAN-3,4,5-TRIOL	A,B,C,D,E,F, G,I,N,O,P,Q, R,S,T,U,V,W	2A06	0.73
BHG	2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO- PYRAN-3,4,5-TRIOL	A,B,C,D,N,O, P,Q	2FBW	0.73
BHG	2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO- PYRAN-3,4,5-TRIOL	A,B,C,D	1YQ4	0.73
BHG	2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO- PYRAN-3,4,5-TRIOL	A,B,C,D	2H89	0.73
BHG	2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO- PYRAN-3,4,5-TRIOL	A,B,C,D,N,O, P,Q	2H88	0.73
ARI	[O4]-ACETOXY-2,3-DIDEOXYFUCOSE	A,B	1D83	0.71
ARI	[O4]-ACETOXY-2,3-DIDEOXYFUCOSE	A,B,C,D	1VAQ	0.71
AD0	DIGALACTURONIC ACID	A,B	2UVF	0.95