MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03034313

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
GKR	D-GLUCARATE	A	3CXT	0.77
GKR	D-GLUCARATE	A,B	1JCT	0.77
KBG	2-KETO-BETA-D-GLUCOSE	A	2F5V	0.72
KBG	2-KETO-BETA-D-GLUCOSE	A	1FQ7	0.72
3LR	3,6-dideoxy-L-arabino-hexonic acid	A,B	3CXO	0.73
GCO	GLUCONIC ACID	B,C,D	1BGG	0.78
GCO	GLUCONIC ACID	A,B	1XLF	0.78
TAG	D-tagatose	A,B,C,D	2QUM	0.89
KDG	2-KETO-3-DEOXYGLUCONATE	A,B	1V1A	0.8
KDG	2-KETO-3-DEOXYGLUCONATE	A,B,C	2VAR	0.8
KDG	2-KETO-3-DEOXYGLUCONATE	A,B,C,D	2QJN	0.8
FUD	D-fructose	A,B,C,D	2QUN	0.89
G6Q	GLUCOSE-6-PHOSPHATE	A,B	3FF1	0.7
G6Q	GLUCOSE-6-PHOSPHATE	A,B,C	2O2C	0.7
G6Q	GLUCOSE-6-PHOSPHATE	A,B	2J6H	0.7
G6Q	GLUCOSE-6-PHOSPHATE	A,B	1JXA	0.7
G6Q	GLUCOSE-6-PHOSPHATE	A,B	1U0F	0.7
G6Q	GLUCOSE-6-PHOSPHATE	A,B	1X9I	0.7
LFC	6-DEOXY-L-GALACTONIC ACID	A	2HXU	0.77
CS2	D-MANNONIC ACID	A,B,C,D	2QJM	0.78
CS2	D-MANNONIC ACID	A,B	3DBN	0.78
RSH	3-DEOXY-D-LYXO-HEXONIC ACID	A,B,C,D	1W3T	0.75
I1N	(2S,3R,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXANONE	A,B	2IBN	0.82
HMS	5-O-phosphono-L-ribulose	A,B	1XBX	0.71
AOS	D-ALLOSE	A,B,C,D	2I57	0.8
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
THE	THREONATE ION	A	1XIJ	0.7
DMV	2,3-DIHYDROXY-VALERIANIC ACID	A,B,C,D	1QMG	0.71
P6F	1,6-di-O-phosphono-D-fructose	A,B	3GB6	0.76
DNO	D-mannose	A	3BDK	0.8
GC1	2,6-ANHYDRO-L-GULONIC ACID	A	1HUA	0.7
XUL	D-XYLULOSE	A	3CWH	0.82
XUL	D-XYLULOSE	A	1XII	0.82
XUL	D-XYLULOSE	A,B	2ITM	0.82
R52	5-O-phosphono-D-ribose	A,B,C,D,E	2VVP	0.72
3MF	3-O-METHYLFRUCTOSE IN LINEAR FORM	A,B	1XYC	0.82
KDP	2-KETO-DEOXY-GALACTOSE	A	2V82	0.71
F6R	FRUCTOSE -6-PHOSPHATE	A,B	1X9H	0.77
F6R	FRUCTOSE -6-PHOSPHATE	A,B,C,D	2PUT	0.77
F6R	FRUCTOSE -6-PHOSPHATE	A,B	2BKX	0.77
F6R	FRUCTOSE -6-PHOSPHATE	A,B,C	2BPL	0.77
F6R	FRUCTOSE -6-PHOSPHATE	A,B	1FQO	0.77
F6R	FRUCTOSE -6-PHOSPHATE	A,B,C,D	2V4M	0.77
RNS	L-RHAMNOSE	A,B,C,D	1X8D	0.8
RNS	L-RHAMNOSE	A,B,C,D	1DE6	0.8
RNS	L-RHAMNOSE	A,B,C,D	2I56	0.8
ICT	ISOCITRIC ACID	A	1IDE	0.7
ICT	ISOCITRIC ACID	A,B	2UXR	0.7
ICT	ISOCITRIC ACID	A,B	1XKD	0.7
ICT	ISOCITRIC ACID	A	8ICD	0.7
ICT	ISOCITRIC ACID	A,B,D	1XG4	0.7
ICT	ISOCITRIC ACID	A	1CW7	0.7
ICT	ISOCITRIC ACID	A	1GRO	0.7
ICT	ISOCITRIC ACID	A	1W8G	0.7
ICT	ISOCITRIC ACID	A	5ICD	0.7
ICT	ISOCITRIC ACID	A,B	1LWD	0.7
ICT	ISOCITRIC ACID	A,B,C,D	1ITW	0.7
ICT	ISOCITRIC ACID	A,B,C,D	1T0L	0.7
ICT	ISOCITRIC ACID	A	1PB1	0.7
ICT	ISOCITRIC ACID	A	1GRP	0.7
ICT	ISOCITRIC ACID	A	1CW1	0.7
ICT	ISOCITRIC ACID	A,B,C,D,E,F	2QFW	0.7
ICT	ISOCITRIC ACID	A	1B0J	0.7
ICT	ISOCITRIC ACID	A	1W7F	0.7
ICT	ISOCITRIC ACID	A	7ACN	0.7
ICT	ISOCITRIC ACID	A	1C97	0.7
ICT	ISOCITRIC ACID	A	1P8F	0.7
ICT	ISOCITRIC ACID	A	2CSG	0.7
P6T	1,6-di-O-phosphono-D-tagatose	A,B	3GAY	0.76
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
1N5	(2R,4S)-2,4,7-trihydroxyheptanoic acid	A,B	3CXO	0.73
GLO	D-GLUCOSE IN LINEAR FORM	A,B	1XYB	0.8
GLO	D-GLUCOSE IN LINEAR FORM	A	1FQD	0.8
GLO	D-GLUCOSE IN LINEAR FORM	A,B	1XYM	0.8
GLO	D-GLUCOSE IN LINEAR FORM	A,B	1EZ9	0.8
GLO	D-GLUCOSE IN LINEAR FORM	A	1FBO	0.8
GLO	D-GLUCOSE IN LINEAR FORM	A	1AC0	0.8
GLO	D-GLUCOSE IN LINEAR FORM	A	1FQC	0.8
149	D-GALCTOPYRANOSYL-1-ON	A,B,C,D	1JZ5	0.71
149	D-GALCTOPYRANOSYL-1-ON	A,B,C,D	3CZJ	0.71
2FP	1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)	A,B,C,D	1FDJ	0.76
2FP	1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)	A,B	6ALD	0.76
2FP	1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)	A,B,C,D	1ZAI	0.76
2FP	1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)	A,B,C,D	2QDG	0.76
2FP	1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)	A	3ELF	0.76
2FP	1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)	A	4ALD	0.76
2FP	1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)	A	1UMG	0.76
I22	D-ALTRO-HEPT-2-ULOSE 7-PHOSPHATE	B	2I22	0.72
XLS	D-XYLOSE (LINEAR FORM)	A,B	2QW5	0.83
XLS	D-XYLOSE (LINEAR FORM)	A	2BRP	0.83
XLS	D-XYLOSE (LINEAR FORM)	A	3XIS	0.83
XLS	D-XYLOSE (LINEAR FORM)	A,B,C,D	8XIM	0.83
XLS	D-XYLOSE (LINEAR FORM)	A	4XIS	0.83
XLS	D-XYLOSE (LINEAR FORM)	A,B,C,D	9XIM	0.83
XLS	D-XYLOSE (LINEAR FORM)	A,B,C,D	5XIN	0.83
XLS	D-XYLOSE (LINEAR FORM)	A	8XIA	0.83
XLS	D-XYLOSE (LINEAR FORM)	A,B,C,D	6XIM	0.83
XLS	D-XYLOSE (LINEAR FORM)	A	1XIC	0.83
DXP	1-DEOXY-D-XYLULOSE-5-PHOSPHATE	B,C,D,E,F,G,H	3GK0	0.71
DXP	1-DEOXY-D-XYLULOSE-5-PHOSPHATE	A,B,C,E,F,G	1M5W	0.71
DXP	1-DEOXY-D-XYLULOSE-5-PHOSPHATE	A,B,C,D	1IXN	0.71
DXP	1-DEOXY-D-XYLULOSE-5-PHOSPHATE	A,B	1Q0Q	0.71
LGT	L-GLUCARIC ACID	A,B,C,D	3CB3	0.77
LGT	L-GLUCARIC ACID	A,B,C	2PP3	0.77
DXG	4-DEOXYGLUCARATE	A,B,C,D	1ECQ	0.78
GLR	2,3-DIHYDROXY-5-OXO-HEXANEDIOATE	A,B,C,D	1EC8	0.75
GLR	2,3-DIHYDROXY-5-OXO-HEXANEDIOATE	A,B,C,D	1JDF	0.75
SSH	3-DEOXY-D-ARABINO-HEXONIC ACID	A,B,C,D	1W3N	0.75