MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03693239

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
L2C	(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATE	A,C	2HVK	0.7
L2C	(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATE	A,C	2DWD	0.7
L2C	(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATE	C	2DWE	0.7
L2C	(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATE	A,C	2HVJ	0.7
BFC	(R)-3-HYDROXYTETRADECANAL	A	2NPV	0.74
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
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	1WB1	0.71
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	1WB3	0.71
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	2BJF	0.71
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	1WB2	0.71
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	1FM4	0.71
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	2W1B	0.71
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B	1E3V	0.71
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	1OS6	0.71
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	3DTU	0.71
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	2OPX	0.71
LNG	12-METHYLTRIDECANOIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W3M	0.79
CFS	4-AMINO-5-CYCLOHEXYL-2,2-DIFLUORO- 3-HYDROXY-PENTANOIC ACID	A	1FQ8	0.71
CXP	CYCLOHEXANE PROPIONIC ACID	A,B	2AY2	0.81
PAY	OCTANE-1,3,5,7-TETRACARBOXYLIC ACID	A,B	2V77	0.74
12H	12-HYDROXYDODECANOIC ACID	A,B	1M6W	0.73
OOA	3-OXOOCTANOIC ACID	A,B,C,D	1H0M	0.7
HXD	(3R)-3-HYDROXYDODECANOIC ACID	A	2DDH	0.85
FTT	3-HYDROXY-TETRADECANOIC ACID	A	1QFF	0.85
FTT	3-HYDROXY-TETRADECANOIC ACID	A	1QJQ	0.85
FTT	3-HYDROXY-TETRADECANOIC ACID	A,B	2GRX	0.85
FTT	3-HYDROXY-TETRADECANOIC ACID	A	1QFG	0.85
FTT	3-HYDROXY-TETRADECANOIC ACID	A	1QKC	0.85
FTT	3-HYDROXY-TETRADECANOIC ACID	A	1FI1	0.85
FTT	3-HYDROXY-TETRADECANOIC ACID	A,B,C,D	3FXI	0.85
CHS	4-AMINO-5-CYCLOHEXYL-3-HYDROXY- PENTANOIC ACID	I	1E80	0.75
CHS	4-AMINO-5-CYCLOHEXYL-3-HYDROXY- PENTANOIC ACID	I	1EED	0.75
CHS	4-AMINO-5-CYCLOHEXYL-3-HYDROXY- PENTANOIC ACID	I	2ER0	0.75
3PA	3-CYCLOPENTYL-PROPIONIC ACID	C	1FAV	0.72
KTA	(S)-CYCLOHEXANONE-2-ACETATE	A,B	2J5S	0.75
F24	(3R,5S,7R,12S,13R)-13-FORMYL-12,14- DIHYDROXY-3,5,7-TRIMETHYLTETRADECANOIC ACID	A	2F9A	0.86
LIL	2-TRIDECANOYLOXY-PENTADECANOIC ACID	A	2FCP	0.75
LIL	2-TRIDECANOYLOXY-PENTADECANOIC ACID	A	1FCP	0.75
LIM	3-OXO-PENTADECANOIC ACID	A	2FCP	0.72
LIM	3-OXO-PENTADECANOIC ACID	A	1UJW	0.72
LIM	3-OXO-PENTADECANOIC ACID	A	1FCP	0.72
GVM	(3R)-3-HYDROXY-5,5-DIMETHYLHEXANOIC ACID	A,B	2UW1	0.78
HOC	(2S)-2-HYDROXYOCTANOIC ACID	A	2A85	0.73
DDR	(2S)-3-hydroxypropane-1,2-diyl didecanoate	A	2Z9Y	0.7
DDR	(2S)-3-hydroxypropane-1,2-diyl didecanoate	A	2Z9Z	0.7
STA	STATINE	E	1EPP	0.72
STA	STATINE	I	1XN3	0.72
STA	STATINE	A,B,I,J	2FIV	0.72
STA	STATINE	A,B,C,D	1QS8	0.72
STA	STATINE	A,B	2RMP	0.72
STA	STATINE	E,I	1APU	0.72
STA	STATINE	A,I	1GVU	0.72
STA	STATINE	I	3ER5	0.72
STA	STATINE	I	2ER9	0.72
STA	STATINE	E,I	4ER2	0.72
STA	STATINE	A,C,I,J,K	2B7F	0.72
STA	STATINE	A,B,C	5HVP	0.72
STA	STATINE	A,I	1GVV	0.72
STA	STATINE	A,I	1WKR	0.72
STA	STATINE	I	5APR	0.72
STA	STATINE	I	1PSO	0.72
STA	STATINE	I	6APR	0.72
STA	STATINE	A	1FQ5	0.72
STA	STATINE	A,I	3FNT	0.72
STA	STATINE	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	3FV3	0.72
STA	STATINE	A,B,C,D,I,J	1LYB	0.72
STA	STATINE	B	1FIV	0.72
STA	STATINE	I	4APR	0.72
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
CAH	5-EXO-HYDROXYCAMPHOR	A	1NOO	0.72
1EM	(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATE	C	2IH1	0.7
1EM	(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATE	C	2IH3	0.7
1EM	(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATE	A,C	2P7T	0.7
YML	[(3R,4S,5S,7R)-4,8-DIHYDROXY-3,5,7- TRIMETHYL-2-OXOOCTYL]PHOSPHONIC ACID	A,B	2HFJ	0.73