MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03209660

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	0.72
GKR	D-GLUCARATE	A,B	1JCT	0.72
KDO	3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID	A,B,C	1Q9W	0.7
KDO	3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID	A,B	3DUV	0.7
KDO	3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID	A,B,C,D	3DUS	0.7
KDO	3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID	A	1QJQ	0.7
KDO	3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID	A,B	1Q9R	0.7
KDO	3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID	A	1QFF	0.7
KDO	3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID	A	2FCP	0.7
KDO	3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID	A,B	1Q9Q	0.7
KDO	3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID	A,B	3DV4	0.7
KDO	3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID	A,B,C,D	3FXI	0.7
KDO	3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID	A,B	2R2B	0.7
KDO	3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID	A	1FCP	0.7
KDO	3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID	A	1FI1	0.7
KDO	3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID	A,B,C,D	3DUU	0.7
KDO	3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID	A,B	1Q9V	0.7
KDO	3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID	A	1QFG	0.7
KDO	3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID	A	1QKC	0.7
KDO	3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID	A,B,C,D	3DUR	0.7
KDO	3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID	A,B	2R1Y	0.7
KDO	3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID	A,B	1Q9T	0.7
KDO	3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID	A,B	3DV6	0.7
KDO	3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID	A,B	2GRX	0.7
3OC	(1R)-3-oxocyclohexanecarboxylic acid	A,B	3DZL	0.73
3LR	3,6-dideoxy-L-arabino-hexonic acid	A,B	3CXO	0.74
CS2	D-MANNONIC ACID	A,B,C,D	2QJM	0.73
CS2	D-MANNONIC ACID	A,B	3DBN	0.73
GCT	4,5-DIHYDROXY-TETRAHYDRO-PYRAN- 2-CARBOXYLIC ACID	A	1RWG	0.71
GCT	4,5-DIHYDROXY-TETRAHYDRO-PYRAN- 2-CARBOXYLIC ACID	A	1RWF	0.71
GCT	4,5-DIHYDROXY-TETRAHYDRO-PYRAN- 2-CARBOXYLIC ACID	A	1RWH	0.71
LFC	6-DEOXY-L-GALACTONIC ACID	A	2HXU	0.72
RSH	3-DEOXY-D-LYXO-HEXONIC ACID	A,B,C,D	1W3T	0.75
FKD	2,6-ANHYDRO-3-DEOXY-3-FLUORO-L- ARABINO-D-GALACTO-NONONIC ACID	A	2AGS	0.7
FA6	3-HYDROXYIMINO QUINIC ACID	A	1H0S	0.77
GCO	GLUCONIC ACID	B,C,D	1BGG	0.73
GCO	GLUCONIC ACID	A,B	1XLF	0.73
DXG	4-DEOXYGLUCARATE	A,B,C,D	1ECQ	0.73
YLL	(1R,2S,3S,4S,5R,6R)-6-(HYDROXYMETHYL)CYCLOHEXANE- 1,2,3,4,5-PENTOL	A,B	2JAL	0.75
I1N	(2S,3R,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXANONE	A,B	2IBN	0.7
1N5	(2R,4S)-2,4,7-trihydroxyheptanoic acid	A,B	3CXO	0.74
LGT	L-GLUCARIC ACID	A,B,C,D	3CB3	0.72
LGT	L-GLUCARIC ACID	A,B,C	2PP3	0.72
CRB	[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]- 5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE- 1-CARBOXYLIC ACID	A,B	1XAI	0.79
CRB	[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]- 5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE- 1-CARBOXYLIC ACID	A,B	1NVD	0.79
CRB	[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]- 5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE- 1-CARBOXYLIC ACID	A	1XAG	0.79
CRB	[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]- 5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE- 1-CARBOXYLIC ACID	A,B	1NR5	0.79
CRB	[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]- 5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE- 1-CARBOXYLIC ACID	A,B	1XAJ	0.79
CRB	[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]- 5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE- 1-CARBOXYLIC ACID	A,B	1XAL	0.79
CRB	[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]- 5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE- 1-CARBOXYLIC ACID	A,B	1DQS	0.79
CRB	[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]- 5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE- 1-CARBOXYLIC ACID	A,B	1NVB	0.79
CRB	[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]- 5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE- 1-CARBOXYLIC ACID	A,B,C	1NVF	0.79
KDG	2-KETO-3-DEOXYGLUCONATE	A,B	1V1A	0.72
KDG	2-KETO-3-DEOXYGLUCONATE	A,B,C	2VAR	0.72
KDG	2-KETO-3-DEOXYGLUCONATE	A,B,C,D	2QJN	0.72
DQA	1,3,4-TRIHYDROXY-5-OXO-CYCLOHEXANECARBOXYLIC ACID	A	1J2Y	0.85
SSH	3-DEOXY-D-ARABINO-HEXONIC ACID	A,B,C,D	1W3N	0.75