MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03409592

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
FRU	FRUCTOSE	A	1FIT	0.73
FRU	FRUCTOSE	A,B,C,D,E,F, G,H,S,T	3B75	0.73
FRU	FRUCTOSE	A,B,C	1AF6	0.73
FRU	FRUCTOSE	A,B,C	2INV	0.73
FRU	FRUCTOSE	A	1Y9G	0.73
FRU	FRUCTOSE	A	2O51	0.73
FRU	FRUCTOSE	A,B	1N3P	0.73
FRU	FRUCTOSE	A,B,C,D	2HK1	0.73
FRU	FRUCTOSE	B,C,F,H,I,K,L	2DD4	0.73
FRU	FRUCTOSE	A,B,C,D	2I58	0.73
FRU	FRUCTOSE	A,C	1LES	0.73
FRU	FRUCTOSE	A	2ADE	0.73
FRU	FRUCTOSE	A,B	3BRQ	0.73
FRU	FRUCTOSE	A	2HW1	0.73
FRU	FRUCTOSE	A	2FIT	0.73
FRU	FRUCTOSE	A	3FIT	0.73
FRU	FRUCTOSE	A,B	1N3Q	0.73
FRU	FRUCTOSE	A	2DWJ	0.73
AOS	D-ALLOSE	A,B,C,D	2I57	0.76
CS2	D-MANNONIC ACID	A,B,C,D	2QJM	0.75
CS2	D-MANNONIC ACID	A,B	3DBN	0.75
M8C	METHYL ALPHA-D-GALACTOPYRANURONATE	C,D	2NST	0.71
M8C	METHYL ALPHA-D-GALACTOPYRANURONATE	C,D	2NSP	0.71
M8C	METHYL ALPHA-D-GALACTOPYRANURONATE	C,D	2NT9	0.71
M8C	METHYL ALPHA-D-GALACTOPYRANURONATE	C,D	2NTQ	0.71
M8C	METHYL ALPHA-D-GALACTOPYRANURONATE	C,D	2NTP	0.71
M8C	METHYL ALPHA-D-GALACTOPYRANURONATE	C,D	2NT6	0.71
TAG	D-tagatose	A,B,C,D	2QUM	0.84
2FP	1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)	A,B,C,D	1FDJ	0.72
2FP	1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)	A,B	6ALD	0.72
2FP	1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)	A,B,C,D	1ZAI	0.72
2FP	1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)	A,B,C,D	2QDG	0.72
2FP	1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)	A	3ELF	0.72
2FP	1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)	A	4ALD	0.72
2FP	1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)	A	1UMG	0.72
149	D-GALCTOPYRANOSYL-1-ON	A,B,C,D	1JZ5	0.77
149	D-GALCTOPYRANOSYL-1-ON	A,B,C,D	3CZJ	0.77
FUD	D-fructose	A,B,C,D	2QUN	0.84
GC1	2,6-ANHYDRO-L-GULONIC ACID	A	1HUA	0.79
P6T	1,6-di-O-phosphono-D-tagatose	A,B	3GAY	0.72
GU1	2,3-DI-O-METHYL-BETA-D-GLUCOPYRANURONIC ACID	H,I	1TB6	0.7
GU1	2,3-DI-O-METHYL-BETA-D-GLUCOPYRANURONIC ACID	A,B,D,I	2B5T	0.7
LGC	(3S,4R,5R,6S)-3,4,5-TRIHYDROXY- 6-(HYDROXYMETHYL)TETRAHYDRO-2H- PYRAN-2-ONE	M	1E6X	0.77
LGC	(3S,4R,5R,6S)-3,4,5-TRIHYDROXY- 6-(HYDROXYMETHYL)TETRAHYDRO-2H- PYRAN-2-ONE	A,B	2E40	0.77
LGC	(3S,4R,5R,6S)-3,4,5-TRIHYDROXY- 6-(HYDROXYMETHYL)TETRAHYDRO-2H- PYRAN-2-ONE	A	2VWG	0.77
LGC	(3S,4R,5R,6S)-3,4,5-TRIHYDROXY- 6-(HYDROXYMETHYL)TETRAHYDRO-2H- PYRAN-2-ONE	A,B	3EQO	0.77
BDP	BETA-D-GALACTOPYRANURONIC ACID	A	1N7R	0.74
BDP	BETA-D-GALACTOPYRANURONIC ACID	A	3C9E	0.74
BDP	BETA-D-GALACTOPYRANURONIC ACID	A	1LOH	0.74
BDP	BETA-D-GALACTOPYRANURONIC ACID	A	1CAP	0.74
BDP	BETA-D-GALACTOPYRANURONIC ACID	A	1HM3	0.74
BDP	BETA-D-GALACTOPYRANURONIC ACID	A	1HUA	0.74
BDP	BETA-D-GALACTOPYRANURONIC ACID	A	1LXK	0.74
BDP	BETA-D-GALACTOPYRANURONIC ACID	A,B	1GQK	0.74
BDP	BETA-D-GALACTOPYRANURONIC ACID	A,B	1ON8	0.74
BDP	BETA-D-GALACTOPYRANURONIC ACID	P	2BVK	0.74
BDP	BETA-D-GALACTOPYRANURONIC ACID	A	2JCR	0.74
BDP	BETA-D-GALACTOPYRANURONIC ACID	A	1LXM	0.74
BDP	BETA-D-GALACTOPYRANURONIC ACID	A	1HMW	0.74
BDP	BETA-D-GALACTOPYRANURONIC ACID	A	3HYA	0.74
BDP	BETA-D-GALACTOPYRANURONIC ACID	A,B	1GQL	0.74
BDP	BETA-D-GALACTOPYRANURONIC ACID	A	1OFM	0.74
BDP	BETA-D-GALACTOPYRANURONIC ACID	A	1N7Q	0.74
DNO	D-mannose	A	3BDK	0.76
GCU	D-GLUCURONIC ACID	A	1HMW	0.74
GCU	D-GLUCURONIC ACID	A	2JCQ	0.74
GCU	D-GLUCURONIC ACID	A	3HYA	0.74
GCU	D-GLUCURONIC ACID	A,B	2FUQ	0.74
GCU	D-GLUCURONIC ACID	A	1DBG	0.74
GCU	D-GLUCURONIC ACID	A	1FCV	0.74
GCU	D-GLUCURONIC ACID	A	1OFM	0.74
GCU	D-GLUCURONIC ACID	A,B	3E7J	0.74
GCU	D-GLUCURONIC ACID	A	1CB8	0.74
GCU	D-GLUCURONIC ACID	A	1HV6	0.74
GCU	D-GLUCURONIC ACID	A	1HMU	0.74
GCU	D-GLUCURONIC ACID	A,B,C	3E80	0.74
GCU	D-GLUCURONIC ACID	A,B	2VZR	0.74
GCU	D-GLUCURONIC ACID	A	2HYA	0.74
GCU	D-GLUCURONIC ACID	A	1OFL	0.74
GCU	D-GLUCURONIC ACID	A,B	2W87	0.74
GCU	D-GLUCURONIC ACID	A	1MQQ	0.74
GCU	D-GLUCURONIC ACID	A	1HM2	0.74
GCU	D-GLUCURONIC ACID	A	1HYA	0.74
GCU	D-GLUCURONIC ACID	A	2C4S	0.74
GCU	D-GLUCURONIC ACID	A	4HYA	0.74
GCU	D-GLUCURONIC ACID	A	1C4S	0.74
GCU	D-GLUCURONIC ACID	A	1HM3	0.74
GCU	D-GLUCURONIC ACID	A	1DBO	0.74
SSH	3-DEOXY-D-ARABINO-HEXONIC ACID	A,B,C,D	1W3N	0.71
BEM	beta-D-mannuronic acid	A	2ZAA	0.74
BEM	beta-D-mannuronic acid	A	2ZAC	0.74
BEM	beta-D-mannuronic acid	A	2ZAB	0.74
BEM	beta-D-mannuronic acid	A	1Y3N	0.74
BEM	beta-D-mannuronic acid	A	1Y3P	0.74
BEM	beta-D-mannuronic acid	A,B	1J1N	0.74
KDF	3-deoxy-alpha-D-erythro-hex-2-ulofuranosonic acid	A,B,C	2VAR	0.79
LFC	6-DEOXY-L-GALACTONIC ACID	A	2HXU	0.73
GCV	4-O-METHYL-ALPHA-D-GLUCURONIC ACID	A	1K9E	0.73
GCV	4-O-METHYL-ALPHA-D-GLUCURONIC ACID	A,B	1V6X	0.73
GCV	4-O-METHYL-ALPHA-D-GLUCURONIC ACID	A	1UQZ	0.73
GCV	4-O-METHYL-ALPHA-D-GLUCURONIC ACID	A,B	1H41	0.73
GCV	4-O-METHYL-ALPHA-D-GLUCURONIC ACID	A	1K9F	0.73
GCV	4-O-METHYL-ALPHA-D-GLUCURONIC ACID	A,B	1V6W	0.73
HMS	5-O-phosphono-L-ribulose	A,B	1XBX	0.71
GCW	4-O-METHYL-BETA-D-GLUCURONIC ACID	A	1L8N	0.73
5RP	RIBULOSE-5-PHOSPHATE	A,B	1XBY	0.71
5RP	RIBULOSE-5-PHOSPHATE	A,B	1XBX	0.71
5RP	RIBULOSE-5-PHOSPHATE	A	1UJ5	0.71
5RP	RIBULOSE-5-PHOSPHATE	A,B	1PVY	0.71
5RP	RIBULOSE-5-PHOSPHATE	A	2RIU	0.71
5RP	RIBULOSE-5-PHOSPHATE	A,B	1SNN	0.71
5RP	RIBULOSE-5-PHOSPHATE	A,B	1TKU	0.71
5RP	RIBULOSE-5-PHOSPHATE	A,B	3HHE	0.71
5RP	RIBULOSE-5-PHOSPHATE	A,B	1XBV	0.71
5RP	RIBULOSE-5-PHOSPHATE	A,B,C	2ISS	0.71
5RP	RIBULOSE-5-PHOSPHATE	A,B,C	2IYP	0.71
5RP	RIBULOSE-5-PHOSPHATE	A,B,C,D,E	2VVP	0.71
KDG	2-KETO-3-DEOXYGLUCONATE	A,B	1V1A	0.76
KDG	2-KETO-3-DEOXYGLUCONATE	A,B,C	2VAR	0.76
KDG	2-KETO-3-DEOXYGLUCONATE	A,B,C,D	2QJN	0.76
GCO	GLUCONIC ACID	B,C,D	1BGG	0.75
GCO	GLUCONIC ACID	A,B	1XLF	0.75
GU2	2,3-DI-O-METHYL-ALPHA-L-IDOPYRANURONIC ACID	A,B,D,I	2B5T	0.7
GU2	2,3-DI-O-METHYL-ALPHA-L-IDOPYRANURONIC ACID	H,I	1TB6	0.7
GKR	D-GLUCARATE	A	3CXT	0.73
GKR	D-GLUCARATE	A,B	1JCT	0.73
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	2DCN	0.73
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	C,D	2NST	0.74
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	A	1GXO	0.74
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	A	2EWE	0.74
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	A	2UVH	0.74
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	A	2O04	0.74
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	C,D	2NTB	0.74
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	C,D	2NT9	0.74
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	A	2NZM	0.74
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	A,B	2Z8S	0.74
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	A	2UVJ	0.74
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	A	2O0V	0.74
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	C,D	2NSP	0.74
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	A,B	3B8Y	0.74
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	C,D	2NT6	0.74
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	A	2O17	0.74
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	C,D	2NTP	0.74
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	A	2O1D	0.74
ADA	ALPHA-D-GALACTOPYRANURONIC ACID	C,D	2NTQ	0.74
ASO	1,5-ANHYDROSORBITOL	A	1XIE	0.7
ASO	1,5-ANHYDROSORBITOL	A	3GUH	0.7
ASO	1,5-ANHYDROSORBITOL	A,B	2ASV	0.7
ASO	1,5-ANHYDROSORBITOL	H,L	2EC9	0.7
RSH	3-DEOXY-D-LYXO-HEXONIC ACID	A,B,C,D	1W3T	0.71
LGU	ALPHA-L-GULURONATE	A	2ZAC	0.74
LGU	ALPHA-L-GULURONATE	A	2ZAA	0.74
LGU	ALPHA-L-GULURONATE	A,B	2QJR	0.74
LGU	ALPHA-L-GULURONATE	A	2ZAB	0.74
LGU	ALPHA-L-GULURONATE	A,B	1J1N	0.74
LGU	ALPHA-L-GULURONATE	A	1Y3P	0.74
DXG	4-DEOXYGLUCARATE	A,B,C,D	1ECQ	0.75
LFR	BETA-L-FRUCTO-FURANOSE	A	2CGJ	0.73
LFR	BETA-L-FRUCTO-FURANOSE	A	2CGL	0.73
LFR	BETA-L-FRUCTO-FURANOSE	A	1ZX5	0.73
XLS	D-XYLOSE (LINEAR FORM)	A,B	2QW5	0.71
XLS	D-XYLOSE (LINEAR FORM)	A	2BRP	0.71
XLS	D-XYLOSE (LINEAR FORM)	A	3XIS	0.71
XLS	D-XYLOSE (LINEAR FORM)	A,B,C,D	8XIM	0.71
XLS	D-XYLOSE (LINEAR FORM)	A	4XIS	0.71
XLS	D-XYLOSE (LINEAR FORM)	A,B,C,D	9XIM	0.71
XLS	D-XYLOSE (LINEAR FORM)	A,B,C,D	5XIN	0.71
XLS	D-XYLOSE (LINEAR FORM)	A	8XIA	0.71
XLS	D-XYLOSE (LINEAR FORM)	A,B,C,D	6XIM	0.71
XLS	D-XYLOSE (LINEAR FORM)	A	1XIC	0.71
GLR	2,3-DIHYDROXY-5-OXO-HEXANEDIOATE	A,B,C,D	1EC8	0.72
GLR	2,3-DIHYDROXY-5-OXO-HEXANEDIOATE	A,B,C,D	1JDF	0.72
KBG	2-KETO-BETA-D-GLUCOSE	A	2F5V	0.81
KBG	2-KETO-BETA-D-GLUCOSE	A	1FQ7	0.81
I1N	(2S,3R,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXANONE	A,B	2IBN	0.78
LGT	L-GLUCARIC ACID	A,B,C,D	3CB3	0.73
LGT	L-GLUCARIC ACID	A,B,C	2PP3	0.73
P6F	1,6-di-O-phosphono-D-fructose	A,B	3GB6	0.72
GTR	GALACTURONIC ACID	A	1KCD	0.74
GTR	GALACTURONIC ACID	A	1KCC	0.74
GTR	GALACTURONIC ACID	A	1N7Q	0.74
F6R	FRUCTOSE -6-PHOSPHATE	A,B	1X9H	0.74
F6R	FRUCTOSE -6-PHOSPHATE	A,B,C,D	2PUT	0.74
F6R	FRUCTOSE -6-PHOSPHATE	A,B	2BKX	0.74
F6R	FRUCTOSE -6-PHOSPHATE	A,B,C	2BPL	0.74
F6R	FRUCTOSE -6-PHOSPHATE	A,B	1FQO	0.74
F6R	FRUCTOSE -6-PHOSPHATE	A,B,C,D	2V4M	0.74
SHB	methyl beta-D-galactopyranuronate	C,D	2NTP	0.71
3MF	3-O-METHYLFRUCTOSE IN LINEAR FORM	A,B	1XYC	0.88
MAV	D-MANNURONIC ACID	A,B	1J1N	0.74
MAV	D-MANNURONIC ACID	A	1Y3P	0.74
MAV	D-MANNURONIC ACID	A,B,D	2PYH	0.74
MAV	D-MANNURONIC ACID	A	1Y3N	0.74
MAV	D-MANNURONIC ACID	A	1HV6	0.74
XUL	D-XYLULOSE	A	3CWH	0.81
XUL	D-XYLULOSE	A	1XII	0.81
XUL	D-XYLULOSE	A,B	2ITM	0.81
IDR	L-IDURONIC ACID	A	2V38	0.74
IDR	L-IDURONIC ACID	A	1HM2	0.74
IDR	L-IDURONIC ACID	A	2ERM	0.74
GCT	4,5-DIHYDROXY-TETRAHYDRO-PYRAN- 2-CARBOXYLIC ACID	A	1RWG	0.75
GCT	4,5-DIHYDROXY-TETRAHYDRO-PYRAN- 2-CARBOXYLIC ACID	A	1RWF	0.75
GCT	4,5-DIHYDROXY-TETRAHYDRO-PYRAN- 2-CARBOXYLIC ACID	A	1RWH	0.75
GLO	D-GLUCOSE IN LINEAR FORM	A,B	1XYB	0.76
GLO	D-GLUCOSE IN LINEAR FORM	A	1FQD	0.76
GLO	D-GLUCOSE IN LINEAR FORM	A,B	1XYM	0.76
GLO	D-GLUCOSE IN LINEAR FORM	A,B	1EZ9	0.76
GLO	D-GLUCOSE IN LINEAR FORM	A	1FBO	0.76
GLO	D-GLUCOSE IN LINEAR FORM	A	1AC0	0.76
GLO	D-GLUCOSE IN LINEAR FORM	A	1FQC	0.76
LRH	6-DEOXY-BETA-L-FRUCTOFURANOSE	A	2UYT	0.71
GC4	4-DEOXY-D-GLUCURONIC ACID	A	1I8Q	0.7
GC4	4-DEOXY-D-GLUCURONIC ACID	A	1C4S	0.7
GC4	4-DEOXY-D-GLUCURONIC ACID	A	1DBO	0.7