MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03706805

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
GS1	1-THIO-BETA-D-GLUCOPYRANOSE	A,B	1KFG	0.82
TCB	THIOCELLOBIOSE	A	2O9R	0.83
TCB	THIOCELLOBIOSE	A	1IEX	0.83
GLT	5-DEOXY-5-THIO-ALPHA-D-GLUCOSE	A,B	1XLI	0.86
VAM	METHYL 4-O-(4-THIO-BETA-D-GLUCOPYRANOSYL)- BETA-D-GLUCOPYRANOSIDE	A	2VI0	0.74
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	B	2PL7	0.96
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	F,H	2PL6	0.96
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A,B	1U19	0.96
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A	2VNJ	0.96
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A,B,C,D,E,F, G,H	3EJE	0.96
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A,B	2G87	0.96
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A,B	2PED	0.96
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A	2VNI	0.96
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A,B,C,D,E,F, G,H	3EJB	0.96
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A	2VNH	0.96
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A	2BGI	0.96
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A,B,C,D,E,F, G,H	3EJD	0.96
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A,B	2HPY	0.96
FU4	2,6-ANHYDRO-1-DEOXY-D-GALACTITOL	A	2OBD	0.72
FU4	2,6-ANHYDRO-1-DEOXY-D-GALACTITOL	A,D	2IWG	0.72
SSG	1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYRANOSE	A	1F9O	0.81
SSG	1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYRANOSE	A	1OCJ	0.81
SSG	1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYRANOSE	A	1UOZ	0.81
SSG	1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYRANOSE	A	1H5V	0.81
IPT	ISOPROPYL-1-BETA-D-THIOGALACTOSIDE	A,B	1NA0	0.98
IPT	ISOPROPYL-1-BETA-D-THIOGALACTOSIDE	A,B,C,D	1LBH	0.98
IPT	ISOPROPYL-1-BETA-D-THIOGALACTOSIDE	A,B,C,D	1TLF	0.98
IPT	ISOPROPYL-1-BETA-D-THIOGALACTOSIDE	A,B	1NA3	0.98
IPT	ISOPROPYL-1-BETA-D-THIOGALACTOSIDE	A,B,C,D	1PX4	0.98
IPT	ISOPROPYL-1-BETA-D-THIOGALACTOSIDE	A,B,C	1KRU	0.98
IPT	ISOPROPYL-1-BETA-D-THIOGALACTOSIDE	A,B,C,D	3DYO	0.98
IPT	ISOPROPYL-1-BETA-D-THIOGALACTOSIDE	A,B	2P9H	0.98
IPT	ISOPROPYL-1-BETA-D-THIOGALACTOSIDE	A,B,C,D	1JYX	0.98
NK1	(1R,5S,6S,7R,8S)-1-THIONIABICYCLO[4.3.0]NONAN- 5,7,8-TRIOL	A	2OW6	0.72
SSO	1,4-DIDEOXY-1,4-[[2S,3S)-2,4-DIHYDROXY- 3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]- D-ARABINITOL INNER SALT	A	1TQS	0.72
DLG	HEXYL 3-DEOXY-BETA-D-GALACTOPYRANOSE	A	1WT2	0.7
DLG	HEXYL 3-DEOXY-BETA-D-GALACTOPYRANOSE	A	1R7T	0.7
DLG	HEXYL 3-DEOXY-BETA-D-GALACTOPYRANOSE	A	1R7U	0.7
FSA	1-S-(carboxymethyl)-1-thio-beta- D-fructopyranose	A,B	3DJE	0.82
SMD	METHYL-2-S-(ALPHA-D-MANNOPYRANOSYL)- 2-THIO-ALPHA-D-MANNOPYRANOSIDE	A	1X9D	0.82
10M	decyl 4-O-alpha-D-glucopyranosyl- 1-thio-beta-D-glucopyranoside	A	3C5T	0.77
10M	decyl 4-O-alpha-D-glucopyranosyl- 1-thio-beta-D-glucopyranoside	A,B	3C59	0.77
TDG	THIODIGALACTOSIDE	A,B	1PV7	0.91
TDG	THIODIGALACTOSIDE	A,B	1A78	0.91
TDG	THIODIGALACTOSIDE	D,E,F,G,H	1LT5	0.91
TDG	THIODIGALACTOSIDE	A,B,C,D,E	1MUQ	0.91
MA2	4-S-methyl-4-thio-alpha-D-glucopyranose	A	1JFH	0.84
DP5	1,4-DIMERCAPTO-ALPHA-D-GLUCOPYRANOSYL- (1-4)-S-1,4-DIMERCAPTO-BETA-D-GLUCOPYRANOSYL- (1-4)-S-1,4-DIMERCAPTO-BETA-D-GLUCOPYRANOSE	A,B,C,D	1OVW	0.8
MA1	1,4-dithio-alpha-D-glucopyranose	A	1JFH	0.81
GTM	O1-METHYL-4-DEOXY-4-THIO-BETA-D- GLUCOSE	A,B	1OCB	0.74
GTM	O1-METHYL-4-DEOXY-4-THIO-BETA-D- GLUCOSE	A	1P6W	0.74
GU8	2,3,6-TRI-O-METHYL-BETA-D-GLUCOPYRANOSE	A,B,D,I	2B5T	0.71
GU8	2,3,6-TRI-O-METHYL-BETA-D-GLUCOPYRANOSE	H,I	1TB6	0.71
3HD	3-O-METHYL-O-ALPHA-D-MANNOPYRANOSYL	A	2HGO	0.76
GLF	1-FLUORO-ALPHA-1-DEOXY-D-GLUCOSE	A	1CXL	0.71
WZ2	methyl alpha-D-mannopyranosyl-(1- >3)-[alpha-D-mannopyranosyl-(1- >6)]-3-thio-alpha-D-mannopyranoside	A	3BVU	0.77
OPM	O1-PENTYL-MANNOSE	A,B	3GXY	0.7
BHG	2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO- PYRAN-3,4,5-TRIOL	A,B,C,D	1YQ3	0.7
BHG	2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO- PYRAN-3,4,5-TRIOL	A	1LZI	0.7
BHG	2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO- PYRAN-3,4,5-TRIOL	A,B,C,D,E,F, G,N,O,P,Q,R, S,T	1PP9	0.7
BHG	2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO- PYRAN-3,4,5-TRIOL	A,B	2GMH	0.7
BHG	2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO- PYRAN-3,4,5-TRIOL	A,B,C,D,E,F, G,O,P,Q,R,S,T	1PPJ	0.7
BHG	2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO- PYRAN-3,4,5-TRIOL	A	1WT1	0.7
BHG	2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO- PYRAN-3,4,5-TRIOL	A	1WT3	0.7
BHG	2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO- PYRAN-3,4,5-TRIOL	A	1LZJ	0.7
BHG	2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO- PYRAN-3,4,5-TRIOL	A,B,C,D,E,F, G,I,N,O,P,Q, R,S,T,U,V,W	2A06	0.7
BHG	2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO- PYRAN-3,4,5-TRIOL	A,B,C,D,N,O, P,Q	2FBW	0.7
BHG	2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO- PYRAN-3,4,5-TRIOL	A,B,C,D	1YQ4	0.7
BHG	2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO- PYRAN-3,4,5-TRIOL	A,B,C,D	2H89	0.7
BHG	2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO- PYRAN-3,4,5-TRIOL	A,B,C,D,N,O, P,Q	2H88	0.7
GU9	2,3,6-TRI-O-METHYL-ALPHA-D-GLUCOPYRANOSE	H,I	1TB6	0.71
GU9	2,3,6-TRI-O-METHYL-ALPHA-D-GLUCOPYRANOSE	A,B,D,I	2B5T	0.71
WIA	METHYL(6S)-1-THIO-L-MANNO-HEXODIALDO- 6,2-PYRANOSIDE	A,B	1USR	0.75
WIA	METHYL(6S)-1-THIO-L-MANNO-HEXODIALDO- 6,2-PYRANOSIDE	A,B,C	1USX	0.75
SSD	1,4-DIDEOXY-1,4-[[2R,3R)-2,4-DIHYDROXY- 3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]- D-ARABINITOL INNER SALT	A	1TQT	0.72
BGS	BETA-D-GLUCOPYRANOSYLSULFONYLETHANE	A	2B5Z	0.91
WZ1	methyl 3-S-alpha-D-mannopyranosyl- 3-thio-alpha-D-mannopyranoside	A	3BVT	0.82
MA3	O1-METHYL-4-DEOXY-4-THIO-ALPHA- D-GLUCOSE	A	1OCJ	0.74
MA3	O1-METHYL-4-DEOXY-4-THIO-ALPHA- D-GLUCOSE	A	1JFH	0.74
MA3	O1-METHYL-4-DEOXY-4-THIO-ALPHA- D-GLUCOSE	A	1H5V	0.74
MA3	O1-METHYL-4-DEOXY-4-THIO-ALPHA- D-GLUCOSE	A	1OC7	0.74
SR1	5-S-METHYL-5-THIO-ALPHA-D-RIBOFURANOSE	A,B	2PUN	0.7
SR1	5-S-METHYL-5-THIO-ALPHA-D-RIBOFURANOSE	A,B	1Z5N	0.7
SR1	5-S-METHYL-5-THIO-ALPHA-D-RIBOFURANOSE	A,B	2PYW	0.7
SOG	2-HYDROXYMETHYL-6-OCTYLSULFANYL- TETRAHYDRO-PYRAN-3,4,5-TRIOL	A	1J2Z	0.94
SOG	2-HYDROXYMETHYL-6-OCTYLSULFANYL- TETRAHYDRO-PYRAN-3,4,5-TRIOL	A,B	1VA5	0.94
SOG	2-HYDROXYMETHYL-6-OCTYLSULFANYL- TETRAHYDRO-PYRAN-3,4,5-TRIOL	A,B,C,D	2VT4	0.94
DEG	BUTYL ALPHA-D-MANNOPYRANOSIDE	A	1UWF	0.7
DEG	BUTYL ALPHA-D-MANNOPYRANOSIDE	A,B	1TR7	0.7
TMR	2,6-DIDEOXY-4-THIOMETHYL-BETA-D- RIBOHEXOPYRANOSIDE	A,B	1PIK	0.75
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A,B	1KFG	0.75
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	X	2BOD	0.75
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A	1OCJ	0.75
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A	1UP3	0.75
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A,B	1Q2E	0.75
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A,B	1QK2	0.75
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A	1P6W	0.75
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A	1E5J	0.75
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A	1FCE	0.75
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	X	2BOG	0.75
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A	2QNO	0.75
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A	1GZ1	0.75
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A,B	1QM5	0.75
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A	1H5V	0.75
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A	1G9J	0.75
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A	1OC5	0.75
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A	1UOZ	0.75
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A,B	1QJW	0.75
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A	1OC7	0.75
ASO	1,5-ANHYDROSORBITOL	A	1XIE	0.74
ASO	1,5-ANHYDROSORBITOL	A	3GUH	0.74
ASO	1,5-ANHYDROSORBITOL	A,B	2ASV	0.74
ASO	1,5-ANHYDROSORBITOL	H,L	2EC9	0.74