MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03922938

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
IPM	3-ISOPROPYLMALIC ACID	A,B	1A05	0.71
IPM	3-ISOPROPYLMALIC ACID	A	1HJ6	0.71
GCV	4-O-METHYL-ALPHA-D-GLUCURONIC ACID	A	1K9E	0.7
GCV	4-O-METHYL-ALPHA-D-GLUCURONIC ACID	A,B	1V6X	0.7
GCV	4-O-METHYL-ALPHA-D-GLUCURONIC ACID	A	1UQZ	0.7
GCV	4-O-METHYL-ALPHA-D-GLUCURONIC ACID	A,B	1H41	0.7
GCV	4-O-METHYL-ALPHA-D-GLUCURONIC ACID	A	1K9F	0.7
GCV	4-O-METHYL-ALPHA-D-GLUCURONIC ACID	A,B	1V6W	0.7
XLS	D-XYLOSE (LINEAR FORM)	A,B	2QW5	0.91
XLS	D-XYLOSE (LINEAR FORM)	A	2BRP	0.91
XLS	D-XYLOSE (LINEAR FORM)	A	3XIS	0.91
XLS	D-XYLOSE (LINEAR FORM)	A,B,C,D	8XIM	0.91
XLS	D-XYLOSE (LINEAR FORM)	A	4XIS	0.91
XLS	D-XYLOSE (LINEAR FORM)	A,B,C,D	9XIM	0.91
XLS	D-XYLOSE (LINEAR FORM)	A,B,C,D	5XIN	0.91
XLS	D-XYLOSE (LINEAR FORM)	A	8XIA	0.91
XLS	D-XYLOSE (LINEAR FORM)	A,B,C,D	6XIM	0.91
XLS	D-XYLOSE (LINEAR FORM)	A	1XIC	0.91
GCW	4-O-METHYL-BETA-D-GLUCURONIC ACID	A	1L8N	0.7
KBG	2-KETO-BETA-D-GLUCOSE	A	2F5V	0.72
KBG	2-KETO-BETA-D-GLUCOSE	A	1FQ7	0.72
R52	5-O-phosphono-D-ribose	A,B,C,D,E	2VVP	0.79
149	D-GALCTOPYRANOSYL-1-ON	A,B,C,D	1JZ5	0.72
149	D-GALCTOPYRANOSYL-1-ON	A,B,C,D	3CZJ	0.72
GCO	GLUCONIC ACID	B,C,D	1BGG	0.72
GCO	GLUCONIC ACID	A,B	1XLF	0.72
ICT	ISOCITRIC ACID	A	1IDE	0.71
ICT	ISOCITRIC ACID	A,B	2UXR	0.71
ICT	ISOCITRIC ACID	A,B	1XKD	0.71
ICT	ISOCITRIC ACID	A	8ICD	0.71
ICT	ISOCITRIC ACID	A,B,D	1XG4	0.71
ICT	ISOCITRIC ACID	A	1CW7	0.71
ICT	ISOCITRIC ACID	A	1GRO	0.71
ICT	ISOCITRIC ACID	A	1W8G	0.71
ICT	ISOCITRIC ACID	A	5ICD	0.71
ICT	ISOCITRIC ACID	A,B	1LWD	0.71
ICT	ISOCITRIC ACID	A,B,C,D	1ITW	0.71
ICT	ISOCITRIC ACID	A,B,C,D	1T0L	0.71
ICT	ISOCITRIC ACID	A	1PB1	0.71
ICT	ISOCITRIC ACID	A	1GRP	0.71
ICT	ISOCITRIC ACID	A	1CW1	0.71
ICT	ISOCITRIC ACID	A,B,C,D,E,F	2QFW	0.71
ICT	ISOCITRIC ACID	A	1B0J	0.71
ICT	ISOCITRIC ACID	A	1W7F	0.71
ICT	ISOCITRIC ACID	A	7ACN	0.71
ICT	ISOCITRIC ACID	A	1C97	0.71
ICT	ISOCITRIC ACID	A	1P8F	0.71
ICT	ISOCITRIC ACID	A	2CSG	0.71
LGC	(3S,4R,5R,6S)-3,4,5-TRIHYDROXY- 6-(HYDROXYMETHYL)TETRAHYDRO-2H- PYRAN-2-ONE	M	1E6X	0.72
LGC	(3S,4R,5R,6S)-3,4,5-TRIHYDROXY- 6-(HYDROXYMETHYL)TETRAHYDRO-2H- PYRAN-2-ONE	A,B	2E40	0.72
LGC	(3S,4R,5R,6S)-3,4,5-TRIHYDROXY- 6-(HYDROXYMETHYL)TETRAHYDRO-2H- PYRAN-2-ONE	A	2VWG	0.72
LGC	(3S,4R,5R,6S)-3,4,5-TRIHYDROXY- 6-(HYDROXYMETHYL)TETRAHYDRO-2H- PYRAN-2-ONE	A,B	3EQO	0.72
DRZ	3',4'-DIHYDROXY-PENTANAL-5'-PHOSPHATE	A,C	1M3Q	0.75
AOS	D-ALLOSE	A,B,C,D	2I57	0.8
KDG	2-KETO-3-DEOXYGLUCONATE	A,B	1V1A	0.71
KDG	2-KETO-3-DEOXYGLUCONATE	A,B,C	2VAR	0.71
KDG	2-KETO-3-DEOXYGLUCONATE	A,B,C,D	2QJN	0.71
FUD	D-fructose	A,B,C,D	2QUN	0.78
LGT	L-GLUCARIC ACID	A,B,C,D	3CB3	0.71
LGT	L-GLUCARIC ACID	A,B,C	2PP3	0.71
TAG	D-tagatose	A,B,C,D	2QUM	0.78
3LR	3,6-dideoxy-L-arabino-hexonic acid	A,B	3CXO	0.7
DMV	2,3-DIHYDROXY-VALERIANIC ACID	A,B,C,D	1QMG	0.71
CS2	D-MANNONIC ACID	A,B,C,D	2QJM	0.72
CS2	D-MANNONIC ACID	A,B	3DBN	0.72
3MF	3-O-METHYLFRUCTOSE IN LINEAR FORM	A,B	1XYC	0.86
DNO	D-mannose	A	3BDK	0.8
LFC	6-DEOXY-L-GALACTONIC ACID	A	2HXU	0.74
I1N	(2S,3R,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXANONE	A,B	2IBN	0.72
E4P	ERYTHOSE-4-PHOSPHATE	A,B	1NGS	0.71
E4P	ERYTHOSE-4-PHOSPHATE	A,B	1U0G	0.71
E4P	ERYTHOSE-4-PHOSPHATE	A,B	1FWT	0.71
E4P	ERYTHOSE-4-PHOSPHATE	A,B	1RZM	0.71
E4P	ERYTHOSE-4-PHOSPHATE	A,B,C,D	1IRI	0.71
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
G6Q	GLUCOSE-6-PHOSPHATE	A,B	3FF1	0.71
G6Q	GLUCOSE-6-PHOSPHATE	A,B,C	2O2C	0.71
G6Q	GLUCOSE-6-PHOSPHATE	A,B	2J6H	0.71
G6Q	GLUCOSE-6-PHOSPHATE	A,B	1JXA	0.71
G6Q	GLUCOSE-6-PHOSPHATE	A,B	1U0F	0.71
G6Q	GLUCOSE-6-PHOSPHATE	A,B	1X9I	0.71
GCT	4,5-DIHYDROXY-TETRAHYDRO-PYRAN- 2-CARBOXYLIC ACID	A	1RWG	0.7
GCT	4,5-DIHYDROXY-TETRAHYDRO-PYRAN- 2-CARBOXYLIC ACID	A	1RWF	0.7
GCT	4,5-DIHYDROXY-TETRAHYDRO-PYRAN- 2-CARBOXYLIC ACID	A	1RWH	0.7
GKR	D-GLUCARATE	A	3CXT	0.71
GKR	D-GLUCARATE	A,B	1JCT	0.71
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
XUL	D-XYLULOSE	A	3CWH	0.79
XUL	D-XYLULOSE	A	1XII	0.79
XUL	D-XYLULOSE	A,B	2ITM	0.79
RNS	L-RHAMNOSE	A,B,C,D	1X8D	0.88
RNS	L-RHAMNOSE	A,B,C,D	1DE6	0.88
RNS	L-RHAMNOSE	A,B,C,D	2I56	0.88
DXG	4-DEOXYGLUCARATE	A,B,C,D	1ECQ	0.72
THE	THREONATE ION	A	1XIJ	0.71
GC1	2,6-ANHYDRO-L-GULONIC ACID	A	1HUA	0.74