MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03926456

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
DG0	4-O-alpha-D-galactopyranuronosyl- alpha-D-galactopyranuronic acid	A	3DYB	0.84
KBG	2-KETO-BETA-D-GLUCOSE	A	2F5V	0.77
KBG	2-KETO-BETA-D-GLUCOSE	A	1FQ7	0.77
GTR	GALACTURONIC ACID	A	1KCD	0.79
GTR	GALACTURONIC ACID	A	1KCC	0.79
GTR	GALACTURONIC ACID	A	1N7Q	0.79
IDX	2-O-sulfo-alpha-L-gulopyranuronic acid	1	1QQP	0.73
IDS	O2-SULFO-GLUCURONIC ACID	1	1ZBA	0.73
IDS	O2-SULFO-GLUCURONIC ACID	A	2HYV	0.73
IDS	O2-SULFO-GLUCURONIC ACID	A	1BFC	0.73
IDS	O2-SULFO-GLUCURONIC ACID	A,B,C,D	2VRA	0.73
IDS	O2-SULFO-GLUCURONIC ACID	H,I	3B9F	0.73
IDS	O2-SULFO-GLUCURONIC ACID	B,C,D,E	1E0O	0.73
IDS	O2-SULFO-GLUCURONIC ACID	A	2HYU	0.73
IDS	O2-SULFO-GLUCURONIC ACID	A,B	3DY0	0.73
IDS	O2-SULFO-GLUCURONIC ACID	B	2AXM	0.73
IDS	O2-SULFO-GLUCURONIC ACID	A,B	1FQ9	0.73
IDS	O2-SULFO-GLUCURONIC ACID	A	1BFB	0.73
IDS	O2-SULFO-GLUCURONIC ACID	A,B	1T8U	0.73
IDS	O2-SULFO-GLUCURONIC ACID	A,B	1GMN	0.73
IDS	O2-SULFO-GLUCURONIC ACID	A	1XT3	0.73
IDS	O2-SULFO-GLUCURONIC ACID	A,B,C,D,E,F	1AXM	0.73
IDS	O2-SULFO-GLUCURONIC ACID	A,B,C,D,E,F, G,H	1GMO	0.73
IDS	O2-SULFO-GLUCURONIC ACID	A	2ERM	0.73
IDS	O2-SULFO-GLUCURONIC ACID	B,D,F,H	1XMN	0.73
IDS	O2-SULFO-GLUCURONIC ACID	A	1HPN	0.73
IDS	O2-SULFO-GLUCURONIC ACID	A	1G5N	0.73
IDS	O2-SULFO-GLUCURONIC ACID	1	1QQP	0.73
IDS	O2-SULFO-GLUCURONIC ACID	A,B	1RID	0.73
IDR	L-IDURONIC ACID	A	2V38	0.79
IDR	L-IDURONIC ACID	A	1HM2	0.79
IDR	L-IDURONIC ACID	A	2ERM	0.79
CDG	METHYL 4,6-O-[(1R)-1-CARBOXYETHYLIDENE]- BETA-D-GALACTOPYRANOSIDE	A,B,C,D,E	1GYK	0.82
MAV	D-MANNURONIC ACID	A,B	1J1N	0.79
MAV	D-MANNURONIC ACID	A	1Y3P	0.79
MAV	D-MANNURONIC ACID	A,B,D	2PYH	0.79
MAV	D-MANNURONIC ACID	A	1Y3N	0.79
MAV	D-MANNURONIC ACID	A	1HV6	0.79
TGU	TRIGALACTURONIC ACID	A	2V8K	0.79
KO1	D-glycero-alpha-D-talo-oct-2-ulopyranosonic acid	A,B	2R23	0.72
LGU	ALPHA-L-GULURONATE	A	2ZAC	0.79
LGU	ALPHA-L-GULURONATE	A	2ZAA	0.79
LGU	ALPHA-L-GULURONATE	A,B	2QJR	0.79
LGU	ALPHA-L-GULURONATE	A	2ZAB	0.79
LGU	ALPHA-L-GULURONATE	A,B	1J1N	0.79
LGU	ALPHA-L-GULURONATE	A	1Y3P	0.79
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	C,D	2NST	0.79
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	A	1GXO	0.79
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	A	2EWE	0.79
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	A	2UVH	0.79
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	A	2O04	0.79
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	C,D	2NTB	0.79
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	C,D	2NT9	0.79
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	A	2NZM	0.79
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	A,B	2Z8S	0.79
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	A	2UVJ	0.79
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	A	2O0V	0.79
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	C,D	2NSP	0.79
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	A,B	3B8Y	0.79
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	C,D	2NT6	0.79
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	A	2O17	0.79
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	C,D	2NTP	0.79
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	A	2O1D	0.79
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	C,D	2NTQ	0.79
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	0.86
46M	(4AR,6R,7S,8R,8AS)-HEXAHYDRO-6,7,8- TRIHYDROXY-2-METHYLPYRANO[3,2-D][1,3]DIOXINE- 2-CARBOXYLIC ACID	A	1X1I	0.83
M8C	METHYL ALPHA-D-GALACTOPYRANURONATE	C,D	2NST	0.82
M8C	METHYL ALPHA-D-GALACTOPYRANURONATE	C,D	2NSP	0.82
M8C	METHYL ALPHA-D-GALACTOPYRANURONATE	C,D	2NT9	0.82
M8C	METHYL ALPHA-D-GALACTOPYRANURONATE	C,D	2NTQ	0.82
M8C	METHYL ALPHA-D-GALACTOPYRANURONATE	C,D	2NTP	0.82
M8C	METHYL ALPHA-D-GALACTOPYRANURONATE	C,D	2NT6	0.82
GC4	4-DEOXY-D-GLUCURONIC ACID	A	1I8Q	0.76
GC4	4-DEOXY-D-GLUCURONIC ACID	A	1C4S	0.76
GC4	4-DEOXY-D-GLUCURONIC ACID	A	1DBO	0.76
GU2	2,3-DI-O-METHYL-ALPHA-L-IDOPYRANURONIC ACID	A,B,D,I	2B5T	0.83
GU2	2,3-DI-O-METHYL-ALPHA-L-IDOPYRANURONIC ACID	H,I	1TB6	0.83
AD0	DIGALACTURONIC ACID	A,B	2UVF	0.84
BEM	beta-D-mannuronic acid	A	2ZAA	0.79
BEM	beta-D-mannuronic acid	A	2ZAC	0.79
BEM	beta-D-mannuronic acid	A	2ZAB	0.79
BEM	beta-D-mannuronic acid	A	1Y3N	0.79
BEM	beta-D-mannuronic acid	A	1Y3P	0.79
BEM	beta-D-mannuronic acid	A,B	1J1N	0.79
CEG	4,6-O-(1-CARBOXYETHYLIDENE)-BETA- D-GLUCOSE	A	1CAP	0.83
CEG	4,6-O-(1-CARBOXYETHYLIDENE)-BETA- D-GLUCOSE	A	1J0N	0.83
LGC	(3S,4R,5R,6S)-3,4,5-TRIHYDROXY- 6-(HYDROXYMETHYL)TETRAHYDRO-2H- PYRAN-2-ONE	M	1E6X	0.71
LGC	(3S,4R,5R,6S)-3,4,5-TRIHYDROXY- 6-(HYDROXYMETHYL)TETRAHYDRO-2H- PYRAN-2-ONE	A,B	2E40	0.71
LGC	(3S,4R,5R,6S)-3,4,5-TRIHYDROXY- 6-(HYDROXYMETHYL)TETRAHYDRO-2H- PYRAN-2-ONE	A	2VWG	0.71
LGC	(3S,4R,5R,6S)-3,4,5-TRIHYDROXY- 6-(HYDROXYMETHYL)TETRAHYDRO-2H- PYRAN-2-ONE	A,B	3EQO	0.71
SHB	methyl beta-D-galactopyranuronate	C,D	2NTP	0.82
149	D-GALCTOPYRANOSYL-1-ON	A,B,C,D	1JZ5	0.71
149	D-GALCTOPYRANOSYL-1-ON	A,B,C,D	3CZJ	0.71
IDU	2-O-sulfo-beta-L-altropyranuronic acid	A,B	2BRS	0.73
IDU	2-O-sulfo-beta-L-altropyranuronic acid	A,B	1FQ9	0.73
GU1	2,3-DI-O-METHYL-BETA-D-GLUCOPYRANURONIC ACID	H,I	1TB6	0.83
GU1	2,3-DI-O-METHYL-BETA-D-GLUCOPYRANURONIC ACID	A,B,D,I	2B5T	0.83
GC1	2,6-ANHYDRO-L-GULONIC ACID	A	1HUA	0.73
GCV	4-O-METHYL-ALPHA-D-GLUCURONIC ACID	A	1K9E	0.8
GCV	4-O-METHYL-ALPHA-D-GLUCURONIC ACID	A,B	1V6X	0.8
GCV	4-O-METHYL-ALPHA-D-GLUCURONIC ACID	A	1UQZ	0.8
GCV	4-O-METHYL-ALPHA-D-GLUCURONIC ACID	A,B	1H41	0.8
GCV	4-O-METHYL-ALPHA-D-GLUCURONIC ACID	A	1K9F	0.8
GCV	4-O-METHYL-ALPHA-D-GLUCURONIC ACID	A,B	1V6W	0.8
GCW	4-O-METHYL-BETA-D-GLUCURONIC ACID	A	1L8N	0.8
GCU	D-GLUCURONIC ACID	A	1HMW	0.79
GCU	D-GLUCURONIC ACID	A	2JCQ	0.79
GCU	D-GLUCURONIC ACID	A	3HYA	0.79
GCU	D-GLUCURONIC ACID	A,B	2FUQ	0.79
GCU	D-GLUCURONIC ACID	A	1DBG	0.79
GCU	D-GLUCURONIC ACID	A	1FCV	0.79
GCU	D-GLUCURONIC ACID	A	1OFM	0.79
GCU	D-GLUCURONIC ACID	A,B	3E7J	0.79
GCU	D-GLUCURONIC ACID	A	1CB8	0.79
GCU	D-GLUCURONIC ACID	A	1HV6	0.79
GCU	D-GLUCURONIC ACID	A	1HMU	0.79
GCU	D-GLUCURONIC ACID	A,B,C	3E80	0.79
GCU	D-GLUCURONIC ACID	A,B	2VZR	0.79
GCU	D-GLUCURONIC ACID	A	2HYA	0.79
GCU	D-GLUCURONIC ACID	A	1OFL	0.79
GCU	D-GLUCURONIC ACID	A,B	2W87	0.79
GCU	D-GLUCURONIC ACID	A	1MQQ	0.79
GCU	D-GLUCURONIC ACID	A	1HM2	0.79
GCU	D-GLUCURONIC ACID	A	1HYA	0.79
GCU	D-GLUCURONIC ACID	A	2C4S	0.79
GCU	D-GLUCURONIC ACID	A	4HYA	0.79
GCU	D-GLUCURONIC ACID	A	1C4S	0.79
GCU	D-GLUCURONIC ACID	A	1HM3	0.79
GCU	D-GLUCURONIC ACID	A	1DBO	0.79
BDP	BETA-D-GALACTOPYRANURONIC ACID	A	1N7R	0.79
BDP	BETA-D-GALACTOPYRANURONIC ACID	A	3C9E	0.79
BDP	BETA-D-GALACTOPYRANURONIC ACID	A	1LOH	0.79
BDP	BETA-D-GALACTOPYRANURONIC ACID	A	1CAP	0.79
BDP	BETA-D-GALACTOPYRANURONIC ACID	A	1HM3	0.79
BDP	BETA-D-GALACTOPYRANURONIC ACID	A	1HUA	0.79
BDP	BETA-D-GALACTOPYRANURONIC ACID	A	1LXK	0.79
BDP	BETA-D-GALACTOPYRANURONIC ACID	A,B	1GQK	0.79
BDP	BETA-D-GALACTOPYRANURONIC ACID	A,B	1ON8	0.79
BDP	BETA-D-GALACTOPYRANURONIC ACID	P	2BVK	0.79
BDP	BETA-D-GALACTOPYRANURONIC ACID	A	2JCR	0.79
BDP	BETA-D-GALACTOPYRANURONIC ACID	A	1LXM	0.79
BDP	BETA-D-GALACTOPYRANURONIC ACID	A	1HMW	0.79
BDP	BETA-D-GALACTOPYRANURONIC ACID	A	3HYA	0.79
BDP	BETA-D-GALACTOPYRANURONIC ACID	A,B	1GQL	0.79
BDP	BETA-D-GALACTOPYRANURONIC ACID	A	1OFM	0.79
BDP	BETA-D-GALACTOPYRANURONIC ACID	A	1N7Q	0.79
IN1	PROPIONIC ACID 2,2-DIHYDROXY-3- (1-GLUCOPYRANOSYLOXY)-METHYLPROPYL ESTER	A,B	4OVW	0.71