MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00008581

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
3OC	(1R)-3-oxocyclohexanecarboxylic acid	A,B	3DZL	0.73
TWN	(3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN- 2-YL]BUTYL LAURATE	A,B	2IVD	0.7
TWN	(3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN- 2-YL]BUTYL LAURATE	A,B	2IVE	0.7
B3H	(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATE	C,D	2HFE	0.74
B3H	(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATE	C,D	2H8P	0.74
B3H	(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATE	C,D	2HG5	0.74
F24	(3R,5S,7R,12S,13R)-13-FORMYL-12,14- DIHYDROXY-3,5,7-TRIMETHYLTETRADECANOIC ACID	A	2F9A	0.8
LIL	2-TRIDECANOYLOXY-PENTADECANOIC ACID	A	2FCP	0.79
LIL	2-TRIDECANOYLOXY-PENTADECANOIC ACID	A	1FCP	0.79
DEB	6-DEOXYERYTHRONOLIDE B	A	1Z8P	0.79
DEB	6-DEOXYERYTHRONOLIDE B	A	1JIO	0.79
DEB	6-DEOXYERYTHRONOLIDE B	A	1Z8Q	0.79
DEB	6-DEOXYERYTHRONOLIDE B	A	1OXA	0.79
DEB	6-DEOXYERYTHRONOLIDE B	A	1Z8O	0.79
HXD	(3R)-3-HYDROXYDODECANOIC ACID	A	2DDH	0.81
FTT	3-HYDROXY-TETRADECANOIC ACID	A	1QFF	0.81
FTT	3-HYDROXY-TETRADECANOIC ACID	A	1QJQ	0.81
FTT	3-HYDROXY-TETRADECANOIC ACID	A,B	2GRX	0.81
FTT	3-HYDROXY-TETRADECANOIC ACID	A	1QFG	0.81
FTT	3-HYDROXY-TETRADECANOIC ACID	A	1QKC	0.81
FTT	3-HYDROXY-TETRADECANOIC ACID	A	1FI1	0.81
FTT	3-HYDROXY-TETRADECANOIC ACID	A,B,C,D	3FXI	0.81
EOD	11-[(2R,3S)-3-PENTYLOXIRAN-2-YL]UNDECANOIC ACID	A,B,C	2DIO	0.72
L2C	(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATE	A,C	2HVK	0.73
L2C	(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATE	A,C	2DWD	0.73
L2C	(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATE	C	2DWE	0.73
L2C	(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATE	A,C	2HVJ	0.73
DDR	(2S)-3-hydroxypropane-1,2-diyl didecanoate	A	2Z9Y	0.73
DDR	(2S)-3-hydroxypropane-1,2-diyl didecanoate	A	2Z9Z	0.73
1EM	(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATE	C	2IH1	0.73
1EM	(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATE	C	2IH3	0.73
1EM	(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATE	A,C	2P7T	0.73
KTA	(S)-CYCLOHEXANONE-2-ACETATE	A,B	2J5S	0.72
HOC	(2S)-2-HYDROXYOCTANOIC ACID	A	2A85	0.7
BFC	(R)-3-HYDROXYTETRADECANAL	A	2NPV	0.71
LNG	12-METHYLTRIDECANOIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W3M	0.72
GVM	(3R)-3-HYDROXY-5,5-DIMETHYLHEXANOIC ACID	A,B	2UW1	0.78
DGA	DIACYL GLYCEROL	A,C	2NLJ	0.72
DGA	DIACYL GLYCEROL	A,C	1ZWI	0.72
DGA	DIACYL GLYCEROL	B,C	1R3J	0.72
DGA	DIACYL GLYCEROL	C	1K4D	0.72
DGA	DIACYL GLYCEROL	A,C	1K4C	0.72
DGA	DIACYL GLYCEROL	C	1R3K	0.72
DGA	DIACYL GLYCEROL	B,C	1S5H	0.72
DGA	DIACYL GLYCEROL	C,H	1R3I	0.72
DGA	DIACYL GLYCEROL	B,C	1R3L	0.72
CHS	4-AMINO-5-CYCLOHEXYL-3-HYDROXY- PENTANOIC ACID	I	1E80	0.7
CHS	4-AMINO-5-CYCLOHEXYL-3-HYDROXY- PENTANOIC ACID	I	1EED	0.7
CHS	4-AMINO-5-CYCLOHEXYL-3-HYDROXY- PENTANOIC ACID	I	2ER0	0.7
CXP	CYCLOHEXANE PROPIONIC ACID	A,B	2AY2	0.77