MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02238509

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
4AT	5-OXOHEXANOIC ACID	A,B	2EFY	0.72
PML	PIMELIC ACID	A	1KGT	0.71
HCA	3-HYDROXY-3-CARBOXY-ADIPIC ACID	A,B,C,D,E,F, G,H	1M1N	0.73
HCA	3-HYDROXY-3-CARBOXY-ADIPIC ACID	A,B,C,D,E,G, I,J,K,L,N,P	1M1Y	0.73
HCA	3-HYDROXY-3-CARBOXY-ADIPIC ACID	A,B,C,D,E,F, G,H	1G21	0.73
HCA	3-HYDROXY-3-CARBOXY-ADIPIC ACID	A,B,C,D	1QGU	0.73
HCA	3-HYDROXY-3-CARBOXY-ADIPIC ACID	B,D	1MIO	0.73
HCA	3-HYDROXY-3-CARBOXY-ADIPIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	2AFI	0.73
HCA	3-HYDROXY-3-CARBOXY-ADIPIC ACID	A,B,C,D	1QH8	0.73
HCA	3-HYDROXY-3-CARBOXY-ADIPIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1M34	0.73
HCA	3-HYDROXY-3-CARBOXY-ADIPIC ACID	A,B,C,D	1FP4	0.73
HCA	3-HYDROXY-3-CARBOXY-ADIPIC ACID	A,B,C	2MIN	0.73
HCA	3-HYDROXY-3-CARBOXY-ADIPIC ACID	A,B,C,D,E,G	1G20	0.73
HCA	3-HYDROXY-3-CARBOXY-ADIPIC ACID	A,B,C,D,E,F, G,H	1N2C	0.73
HCA	3-HYDROXY-3-CARBOXY-ADIPIC ACID	A,B,C,D,E,F, G,H	2AFK	0.73
HCA	3-HYDROXY-3-CARBOXY-ADIPIC ACID	A,B,C,D	1QH1	0.73
HCA	3-HYDROXY-3-CARBOXY-ADIPIC ACID	A,B,C,D	3MIN	0.73
HCA	3-HYDROXY-3-CARBOXY-ADIPIC ACID	A,B,C,D,E	2AFH	0.73
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
LG6	L-GULURONIC ACID 6-PHOSPHATE	A,B	1KW1	0.71
LG6	L-GULURONIC ACID 6-PHOSPHATE	A,B	1Q6O	0.71
I1N	(2S,3R,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXANONE	A,B	2IBN	0.71
LGT	L-GLUCARIC ACID	A,B,C,D	3CB3	0.8
LGT	L-GLUCARIC ACID	A,B,C	2PP3	0.8
GUA	GLUTARIC ACID	A,B	1JW0	0.73
GUA	GLUTARIC ACID	A,B,C,D	1B4N	0.73
GUA	GLUTARIC ACID	A	1AMS	0.73
GUA	GLUTARIC ACID	A,B	1XEY	0.73
GUA	GLUTARIC ACID	A	1CZC	0.73
GUA	GLUTARIC ACID	A,B,C	1IYD	0.73
DXG	4-DEOXYGLUCARATE	A,B,C,D	1ECQ	0.81
1N5	(2R,4S)-2,4,7-trihydroxyheptanoic acid	A,B	3CXO	0.71
GLO	D-GLUCOSE IN LINEAR FORM	A,B	1XYB	0.72
GLO	D-GLUCOSE IN LINEAR FORM	A	1FQD	0.72
GLO	D-GLUCOSE IN LINEAR FORM	A,B	1XYM	0.72
GLO	D-GLUCOSE IN LINEAR FORM	A,B	1EZ9	0.72
GLO	D-GLUCOSE IN LINEAR FORM	A	1FBO	0.72
GLO	D-GLUCOSE IN LINEAR FORM	A	1AC0	0.72
GLO	D-GLUCOSE IN LINEAR FORM	A	1FQC	0.72
149	D-GALCTOPYRANOSYL-1-ON	A,B,C,D	1JZ5	0.74
149	D-GALCTOPYRANOSYL-1-ON	A,B,C,D	3CZJ	0.74
RSH	3-DEOXY-D-LYXO-HEXONIC ACID	A,B,C,D	1W3T	0.85
6PG	6-PHOSPHOGLUCONIC ACID	A	1PGP	0.71
6PG	6-PHOSPHOGLUCONIC ACID	A,B	1J3R	0.71
6PG	6-PHOSPHOGLUCONIC ACID	A,B	1QY4	0.71
6PG	6-PHOSPHOGLUCONIC ACID	A,B	2W8Z	0.71
6PG	6-PHOSPHOGLUCONIC ACID	A,B	3E7F	0.71
6PG	6-PHOSPHOGLUCONIC ACID	A,B	2W90	0.71
6PG	6-PHOSPHOGLUCONIC ACID	A,B	1KO8	0.71
6PG	6-PHOSPHOGLUCONIC ACID	A,B	2CXR	0.71
6PG	6-PHOSPHOGLUCONIC ACID	A	2IYO	0.71
6PG	6-PHOSPHOGLUCONIC ACID	A,B	1DQR	0.71
LGC	(3S,4R,5R,6S)-3,4,5-TRIHYDROXY- 6-(HYDROXYMETHYL)TETRAHYDRO-2H- PYRAN-2-ONE	M	1E6X	0.74
LGC	(3S,4R,5R,6S)-3,4,5-TRIHYDROXY- 6-(HYDROXYMETHYL)TETRAHYDRO-2H- PYRAN-2-ONE	A,B	2E40	0.74
LGC	(3S,4R,5R,6S)-3,4,5-TRIHYDROXY- 6-(HYDROXYMETHYL)TETRAHYDRO-2H- PYRAN-2-ONE	A	2VWG	0.74
LGC	(3S,4R,5R,6S)-3,4,5-TRIHYDROXY- 6-(HYDROXYMETHYL)TETRAHYDRO-2H- PYRAN-2-ONE	A,B	3EQO	0.74
3LR	3,6-dideoxy-L-arabino-hexonic acid	A,B	3CXO	0.83
DNO	D-mannose	A	3BDK	0.72
6NA	HEXANOIC ACID	A,B	2IX4	0.73
6NA	HEXANOIC ACID	A,B	2IWZ	0.73
6NA	HEXANOIC ACID	A	2IQ0	0.73
AKG	2-OXYGLUTARIC ACID	A,B,C,D	1YBA	0.72
AKG	2-OXYGLUTARIC ACID	A	1DS1	0.72
AKG	2-OXYGLUTARIC ACID	A	1H2L	0.72
AKG	2-OXYGLUTARIC ACID	A,B,C	1NX8	0.72
AKG	2-OXYGLUTARIC ACID	A,B	3BUC	0.72
AKG	2-OXYGLUTARIC ACID	A	2RDN	0.72
AKG	2-OXYGLUTARIC ACID	A,B	3BIE	0.72
AKG	2-OXYGLUTARIC ACID	A,D	1OIK	0.72
AKG	2-OXYGLUTARIC ACID	A,B,C,D	3DC1	0.72
AKG	2-OXYGLUTARIC ACID	A,B	2FDF	0.72
AKG	2-OXYGLUTARIC ACID	A	3D8C	0.72
AKG	2-OXYGLUTARIC ACID	A	1DRY	0.72
AKG	2-OXYGLUTARIC ACID	A,B	2FDH	0.72
AKG	2-OXYGLUTARIC ACID	A,B,C	2J9E	0.72
AKG	2-OXYGLUTARIC ACID	A,B,C,D,E,F	2QFY	0.72
AKG	2-OXYGLUTARIC ACID	A	1UNB	0.72
AKG	2-OXYGLUTARIC ACID	A,B,C,D	1OIJ	0.72
AKG	2-OXYGLUTARIC ACID	A,B,C,D,E,F	2QFX	0.72
AKG	2-OXYGLUTARIC ACID	A,B	1GQW	0.72
AKG	2-OXYGLUTARIC ACID	A,B	3BKZ	0.72
AKG	2-OXYGLUTARIC ACID	A,B	2GP5	0.72
AKG	2-OXYGLUTARIC ACID	A,B	3GJB	0.72
AKG	2-OXYGLUTARIC ACID	A	1GP4	0.72
AKG	2-OXYGLUTARIC ACID	A	2RDQ	0.72
AKG	2-OXYGLUTARIC ACID	A,B,C,D,E,F	1HWY	0.72
AKG	2-OXYGLUTARIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	2VDC	0.72
AKG	2-OXYGLUTARIC ACID	A,B	3BU0	0.72
AKG	2-OXYGLUTARIC ACID	A,B	2FCT	0.72
AKG	2-OXYGLUTARIC ACID	A,B,F,G	2Q8C	0.72
AKG	2-OXYGLUTARIC ACID	A,B	1GY9	0.72
AKG	2-OXYGLUTARIC ACID	A,B,C,D	1OII	0.72
AKG	2-OXYGLUTARIC ACID	A	2A1X	0.72
AKG	2-OXYGLUTARIC ACID	A	1H2N	0.72
AKG	2-OXYGLUTARIC ACID	A,B,C	1NX4	0.72
AKG	2-OXYGLUTARIC ACID	A	2BRT	0.72
AKG	2-OXYGLUTARIC ACID	A,B	2FCV	0.72
AKG	2-OXYGLUTARIC ACID	A,B	2FDI	0.72
AKG	2-OXYGLUTARIC ACID	A	2YU1	0.72
AKG	2-OXYGLUTARIC ACID	A,B	2FDK	0.72
AKG	2-OXYGLUTARIC ACID	A	1E5I	0.72
AKG	2-OXYGLUTARIC ACID	A	1UOB	0.72
AKG	2-OXYGLUTARIC ACID	A,B	1OFE	0.72
AKG	2-OXYGLUTARIC ACID	A	2ILM	0.72
AKG	2-OXYGLUTARIC ACID	A,B	2FCU	0.72
AKG	2-OXYGLUTARIC ACID	A,B	1AIB	0.72
AKG	2-OXYGLUTARIC ACID	A	1RXG	0.72
AKG	2-OXYGLUTARIC ACID	A	1MZF	0.72
AKG	2-OXYGLUTARIC ACID	A,B	1EA0	0.72
AKG	2-OXYGLUTARIC ACID	A	1DRT	0.72
AKG	2-OXYGLUTARIC ACID	A	2IUW	0.72
AKG	2-OXYGLUTARIC ACID	A,B,C,D	3BN1	0.72
AKG	2-OXYGLUTARIC ACID	A,B	2FD8	0.72
AKG	2-OXYGLUTARIC ACID	A	2JJH	0.72
AKG	2-OXYGLUTARIC ACID	A	1IKA	0.72
AKG	2-OXYGLUTARIC ACID	A,B,C,D	1OS7	0.72
AKG	2-OXYGLUTARIC ACID	A	1MDX	0.72
AKG	2-OXYGLUTARIC ACID	A,B	1OFD	0.72
AKG	2-OXYGLUTARIC ACID	A	2CJH	0.72
AKG	2-OXYGLUTARIC ACID	A	1GP5	0.72
AKG	2-OXYGLUTARIC ACID	A	1CW4	0.72
AKG	2-OXYGLUTARIC ACID	A,B	3BI3	0.72
AKG	2-OXYGLUTARIC ACID	A	1BL5	0.72
AKG	2-OXYGLUTARIC ACID	A	1LLW	0.72
AKG	2-OXYGLUTARIC ACID	A	2ZE3	0.72
AKG	2-OXYGLUTARIC ACID	A	1GVG	0.72
AOS	D-ALLOSE	A,B,C,D	2I57	0.72
GC1	2,6-ANHYDRO-L-GULONIC ACID	A	1HUA	0.72
GCO	GLUCONIC ACID	B,C,D	1BGG	0.81
GCO	GLUCONIC ACID	A,B	1XLF	0.81
KDF	3-deoxy-alpha-D-erythro-hex-2-ulofuranosonic acid	A,B,C	2VAR	0.72
DHD	2,4-DIOXO-PENTANEDIOIC ACID	A,B,C,D	1CS1	0.7
LFC	6-DEOXY-L-GALACTONIC ACID	A	2HXU	0.8
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
CS2	D-MANNONIC ACID	A,B,C,D	2QJM	0.81
CS2	D-MANNONIC ACID	A,B	3DBN	0.81
SSH	3-DEOXY-D-ARABINO-HEXONIC ACID	A,B,C,D	1W3N	0.85
GKR	D-GLUCARATE	A	3CXT	0.8
GKR	D-GLUCARATE	A,B	1JCT	0.8
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