MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02394085

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
WZ2	methyl alpha-D-mannopyranosyl-(1- >3)-[alpha-D-mannopyranosyl-(1- >6)]-3-thio-alpha-D-mannopyranoside	A	3BVU	0.76
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	B	2PL7	0.92
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	F,H	2PL6	0.92
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A,B	1U19	0.92
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A	2VNJ	0.92
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A,B,C,D,E,F, G,H	3EJE	0.92
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A,B	2G87	0.92
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A,B	2PED	0.92
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A	2VNI	0.92
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A,B,C,D,E,F, G,H	3EJB	0.92
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A	2VNH	0.92
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A	2BGI	0.92
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A,B,C,D,E,F, G,H	3EJD	0.92
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A,B	2HPY	0.92
SMD	METHYL-2-S-(ALPHA-D-MANNOPYRANOSYL)- 2-THIO-ALPHA-D-MANNOPYRANOSIDE	A	1X9D	0.81
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A,B	1KFG	0.71
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	X	2BOD	0.71
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A	1OCJ	0.71
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A	1UP3	0.71
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A,B	1Q2E	0.71
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A,B	1QK2	0.71
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A	1P6W	0.71
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A	1E5J	0.71
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A	1FCE	0.71
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	X	2BOG	0.71
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A	2QNO	0.71
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A	1GZ1	0.71
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A,B	1QM5	0.71
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A	1H5V	0.71
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A	1G9J	0.71
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A	1OC5	0.71
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A	1UOZ	0.71
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A,B	1QJW	0.71
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A	1OC7	0.71
VAM	METHYL 4-O-(4-THIO-BETA-D-GLUCOPYRANOSYL)- BETA-D-GLUCOPYRANOSIDE	A	2VI0	0.73
3HD	3-O-METHYL-O-ALPHA-D-MANNOPYRANOSYL	A	2HGO	0.72
TMR	2,6-DIDEOXY-4-THIOMETHYL-BETA-D- RIBOHEXOPYRANOSIDE	A,B	1PIK	0.71
TCB	THIOCELLOBIOSE	A	2O9R	0.79
TCB	THIOCELLOBIOSE	A	1IEX	0.79
SSO	1,4-DIDEOXY-1,4-[[2S,3S)-2,4-DIHYDROXY- 3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]- D-ARABINITOL INNER SALT	A	1TQS	0.75
FSA	1-S-(carboxymethyl)-1-thio-beta- D-fructopyranose	A,B	3DJE	0.79
BGS	BETA-D-GLUCOPYRANOSYLSULFONYLETHANE	A	2B5Z	0.87
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
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	0.77
ASO	1,5-ANHYDROSORBITOL	A	1XIE	0.7
ASO	1,5-ANHYDROSORBITOL	A	3GUH	0.7
ASO	1,5-ANHYDROSORBITOL	A,B	2ASV	0.7
ASO	1,5-ANHYDROSORBITOL	H,L	2EC9	0.7
SOG	2-HYDROXYMETHYL-6-OCTYLSULFANYL- TETRAHYDRO-PYRAN-3,4,5-TRIOL	A	1J2Z	0.9
SOG	2-HYDROXYMETHYL-6-OCTYLSULFANYL- TETRAHYDRO-PYRAN-3,4,5-TRIOL	A,B	1VA5	0.9
SOG	2-HYDROXYMETHYL-6-OCTYLSULFANYL- TETRAHYDRO-PYRAN-3,4,5-TRIOL	A,B,C,D	2VT4	0.9
SSG	1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYRANOSE	A	1F9O	0.77
SSG	1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYRANOSE	A	1OCJ	0.77
SSG	1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYRANOSE	A	1UOZ	0.77
SSG	1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYRANOSE	A	1H5V	0.77
IPT	ISOPROPYL-1-BETA-D-THIOGALACTOSIDE	A,B	1NA0	0.94
IPT	ISOPROPYL-1-BETA-D-THIOGALACTOSIDE	A,B,C,D	1LBH	0.94
IPT	ISOPROPYL-1-BETA-D-THIOGALACTOSIDE	A,B,C,D	1TLF	0.94
IPT	ISOPROPYL-1-BETA-D-THIOGALACTOSIDE	A,B	1NA3	0.94
IPT	ISOPROPYL-1-BETA-D-THIOGALACTOSIDE	A,B,C,D	1PX4	0.94
IPT	ISOPROPYL-1-BETA-D-THIOGALACTOSIDE	A,B,C	1KRU	0.94
IPT	ISOPROPYL-1-BETA-D-THIOGALACTOSIDE	A,B,C,D	3DYO	0.94
IPT	ISOPROPYL-1-BETA-D-THIOGALACTOSIDE	A,B	2P9H	0.94
IPT	ISOPROPYL-1-BETA-D-THIOGALACTOSIDE	A,B,C,D	1JYX	0.94
WIA	METHYL(6S)-1-THIO-L-MANNO-HEXODIALDO- 6,2-PYRANOSIDE	A,B	1USR	0.72
WIA	METHYL(6S)-1-THIO-L-MANNO-HEXODIALDO- 6,2-PYRANOSIDE	A,B,C	1USX	0.72
SSD	1,4-DIDEOXY-1,4-[[2R,3R)-2,4-DIHYDROXY- 3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]- D-ARABINITOL INNER SALT	A	1TQT	0.75
SR1	5-S-METHYL-5-THIO-ALPHA-D-RIBOFURANOSE	A,B	2PUN	0.73
SR1	5-S-METHYL-5-THIO-ALPHA-D-RIBOFURANOSE	A,B	1Z5N	0.73
SR1	5-S-METHYL-5-THIO-ALPHA-D-RIBOFURANOSE	A,B	2PYW	0.73
WZ1	methyl 3-S-alpha-D-mannopyranosyl- 3-thio-alpha-D-mannopyranoside	A	3BVT	0.81
MA2	4-S-methyl-4-thio-alpha-D-glucopyranose	A	1JFH	0.8
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
MA1	1,4-dithio-alpha-D-glucopyranose	A	1JFH	0.77
TDG	THIODIGALACTOSIDE	A,B	1PV7	0.87
TDG	THIODIGALACTOSIDE	A,B	1A78	0.87
TDG	THIODIGALACTOSIDE	D,E,F,G,H	1LT5	0.87
TDG	THIODIGALACTOSIDE	A,B,C,D,E	1MUQ	0.87
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
10M	decyl 4-O-alpha-D-glucopyranosyl- 1-thio-beta-D-glucopyranoside	A	3C5T	0.76
10M	decyl 4-O-alpha-D-glucopyranosyl- 1-thio-beta-D-glucopyranoside	A,B	3C59	0.76
GS1	1-THIO-BETA-D-GLUCOPYRANOSE	A,B	1KFG	0.78
GLT	5-DEOXY-5-THIO-ALPHA-D-GLUCOSE	A,B	1XLI	0.82