MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02322182

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
COI	2-OXO-4-METHYLPENTANOIC ACID	A,B	1QS0	0.76
COI	2-OXO-4-METHYLPENTANOIC ACID	A,C	1UMD	0.76
COI	2-OXO-4-METHYLPENTANOIC ACID	A	1DXY	0.76
COI	2-OXO-4-METHYLPENTANOIC ACID	A,B	2HDK	0.76
COI	2-OXO-4-METHYLPENTANOIC ACID	A	1HJF	0.76
3OC	(1R)-3-oxocyclohexanecarboxylic acid	A,B	3DZL	0.7
4MV	4-METHYL VALERIC ACID	A,B,C	1I1M	0.75
4MV	4-METHYL VALERIC ACID	A,B,C	2EIY	0.75
4MV	4-METHYL VALERIC ACID	A	2ECO	0.75
4MV	4-METHYL VALERIC ACID	A,C,D	1UMC	0.75
4MV	4-METHYL VALERIC ACID	A,B	2COG	0.75
LAF	5-FLUOROLEVULINIC ACID	A,B	1GZG	0.7
KIV	3-METHYL-2-OXOBUTANOIC ACID	A,B	1KTA	0.7
KIV	3-METHYL-2-OXOBUTANOIC ACID	A	1HJG	0.7
KIV	3-METHYL-2-OXOBUTANOIC ACID	A,B	1SR9	0.7
KIV	3-METHYL-2-OXOBUTANOIC ACID	A,B,C,D,E	1O68	0.7
TRC	TRICARBALLYLIC ACID	A	6ACN	0.73
TRC	TRICARBALLYLIC ACID	A,B	2PW0	0.73
TRC	TRICARBALLYLIC ACID	A	5ACN	0.73
2PP	2-PROPYL-PENTANOIC ACID	P	1DIT	0.7
SHF	LAEVULINIC ACID	A	1YLV	0.8
SHF	LAEVULINIC ACID	A	1H7N	0.8