MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03420053

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
VAD	DEAMINOHYDROXYVALINE	C	1CWO	0.8
TFB	TETRAHYDROFURAN-2-CARBOXYLIC ACID	A	1TIW	0.74
TFB	TETRAHYDROFURAN-2-CARBOXYLIC ACID	A	3E2R	0.74
TFB	TETRAHYDROFURAN-2-CARBOXYLIC ACID	A	1KB0	0.74
1LU	4-METHYL-PENTANOIC ACID-2-OXYL GROUP	E,I	6TMN	0.89
1LU	4-METHYL-PENTANOIC ACID-2-OXYL GROUP	I	1DS2	0.89
DMV	2,3-DIHYDROXY-VALERIANIC ACID	A,B,C,D	1QMG	0.75
COI	2-OXO-4-METHYLPENTANOIC ACID	A,B	1QS0	0.74
COI	2-OXO-4-METHYLPENTANOIC ACID	A,C	1UMD	0.74
COI	2-OXO-4-METHYLPENTANOIC ACID	A	1DXY	0.74
COI	2-OXO-4-METHYLPENTANOIC ACID	A,B	2HDK	0.74
COI	2-OXO-4-METHYLPENTANOIC ACID	A	1HJF	0.74
HOC	(2S)-2-HYDROXYOCTANOIC ACID	A	2A85	0.73
B3H	(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATE	C,D	2HFE	0.71
B3H	(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATE	C,D	2H8P	0.71
B3H	(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATE	C,D	2HG5	0.71
IPM	3-ISOPROPYLMALIC ACID	A,B	1A05	0.74
IPM	3-ISOPROPYLMALIC ACID	A	1HJ6	0.74