MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03444211

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
SOG	2-HYDROXYMETHYL-6-OCTYLSULFANYL- TETRAHYDRO-PYRAN-3,4,5-TRIOL	A	1J2Z	0.89
SOG	2-HYDROXYMETHYL-6-OCTYLSULFANYL- TETRAHYDRO-PYRAN-3,4,5-TRIOL	A,B	1VA5	0.89
SOG	2-HYDROXYMETHYL-6-OCTYLSULFANYL- TETRAHYDRO-PYRAN-3,4,5-TRIOL	A,B,C,D	2VT4	0.89
WZ1	methyl 3-S-alpha-D-mannopyranosyl- 3-thio-alpha-D-mannopyranoside	A	3BVT	0.77
LRH	6-DEOXY-BETA-L-FRUCTOFURANOSE	A	2UYT	0.73
TDG	THIODIGALACTOSIDE	A,B	1PV7	0.85
TDG	THIODIGALACTOSIDE	A,B	1A78	0.85
TDG	THIODIGALACTOSIDE	D,E,F,G,H	1LT5	0.85
TDG	THIODIGALACTOSIDE	A,B,C,D,E	1MUQ	0.85
SSD	1,4-DIDEOXY-1,4-[[2R,3R)-2,4-DIHYDROXY- 3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]- D-ARABINITOL INNER SALT	A	1TQT	0.8
LFR	BETA-L-FRUCTO-FURANOSE	A	2CGJ	0.71
LFR	BETA-L-FRUCTO-FURANOSE	A	2CGL	0.71
LFR	BETA-L-FRUCTO-FURANOSE	A	1ZX5	0.71
10M	decyl 4-O-alpha-D-glucopyranosyl- 1-thio-beta-D-glucopyranoside	A	3C5T	0.72
10M	decyl 4-O-alpha-D-glucopyranosyl- 1-thio-beta-D-glucopyranoside	A,B	3C59	0.72
IPT	ISOPROPYL-1-BETA-D-THIOGALACTOSIDE	A,B	1NA0	0.92
IPT	ISOPROPYL-1-BETA-D-THIOGALACTOSIDE	A,B,C,D	1LBH	0.92
IPT	ISOPROPYL-1-BETA-D-THIOGALACTOSIDE	A,B,C,D	1TLF	0.92
IPT	ISOPROPYL-1-BETA-D-THIOGALACTOSIDE	A,B	1NA3	0.92
IPT	ISOPROPYL-1-BETA-D-THIOGALACTOSIDE	A,B,C,D	1PX4	0.92
IPT	ISOPROPYL-1-BETA-D-THIOGALACTOSIDE	A,B,C	1KRU	0.92
IPT	ISOPROPYL-1-BETA-D-THIOGALACTOSIDE	A,B,C,D	3DYO	0.92
IPT	ISOPROPYL-1-BETA-D-THIOGALACTOSIDE	A,B	2P9H	0.92
IPT	ISOPROPYL-1-BETA-D-THIOGALACTOSIDE	A,B,C,D	1JYX	0.92
NK1	(1R,5S,6S,7R,8S)-1-THIONIABICYCLO[4.3.0]NONAN- 5,7,8-TRIOL	A	2OW6	0.73
3HD	3-O-METHYL-O-ALPHA-D-MANNOPYRANOSYL	A	2HGO	0.71
SMD	METHYL-2-S-(ALPHA-D-MANNOPYRANOSYL)- 2-THIO-ALPHA-D-MANNOPYRANOSIDE	A	1X9D	0.77
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	B	2PL7	0.9
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	F,H	2PL6	0.9
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A,B	1U19	0.9
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A	2VNJ	0.9
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A,B,C,D,E,F, G,H	3EJE	0.9
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A,B	2G87	0.9
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A,B	2PED	0.9
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A	2VNI	0.9
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A,B,C,D,E,F, G,H	3EJB	0.9
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A	2VNH	0.9
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A	2BGI	0.9
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A,B,C,D,E,F, G,H	3EJD	0.9
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A,B	2HPY	0.9
BGS	BETA-D-GLUCOPYRANOSYLSULFONYLETHANE	A	2B5Z	0.85
MA1	1,4-dithio-alpha-D-glucopyranose	A	1JFH	0.75
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A,B	1KFG	0.7
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	X	2BOD	0.7
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A	1OCJ	0.7
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A	1UP3	0.7
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A,B	1Q2E	0.7
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A,B	1QK2	0.7
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A	1P6W	0.7
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A	1E5J	0.7
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A	1FCE	0.7
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	X	2BOG	0.7
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A	2QNO	0.7
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A	1GZ1	0.7
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A,B	1QM5	0.7
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A	1H5V	0.7
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A	1G9J	0.7
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A	1OC5	0.7
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A	1UOZ	0.7
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A,B	1QJW	0.7
SGC	4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE	A	1OC7	0.7
WZ2	methyl alpha-D-mannopyranosyl-(1- >3)-[alpha-D-mannopyranosyl-(1- >6)]-3-thio-alpha-D-mannopyranoside	A	3BVU	0.72
MA2	4-S-methyl-4-thio-alpha-D-glucopyranose	A	1JFH	0.79
GS1	1-THIO-BETA-D-GLUCOPYRANOSE	A,B	1KFG	0.77
FSA	1-S-(carboxymethyl)-1-thio-beta- D-fructopyranose	A,B	3DJE	0.78
FRU	FRUCTOSE	A	1FIT	0.71
FRU	FRUCTOSE	A,B,C,D,E,F, G,H,S,T	3B75	0.71
FRU	FRUCTOSE	A,B,C	1AF6	0.71
FRU	FRUCTOSE	A,B,C	2INV	0.71
FRU	FRUCTOSE	A	1Y9G	0.71
FRU	FRUCTOSE	A	2O51	0.71
FRU	FRUCTOSE	A,B	1N3P	0.71
FRU	FRUCTOSE	A,B,C,D	2HK1	0.71
FRU	FRUCTOSE	B,C,F,H,I,K,L	2DD4	0.71
FRU	FRUCTOSE	A,B,C,D	2I58	0.71
FRU	FRUCTOSE	A,C	1LES	0.71
FRU	FRUCTOSE	A	2ADE	0.71
FRU	FRUCTOSE	A,B	3BRQ	0.71
FRU	FRUCTOSE	A	2HW1	0.71
FRU	FRUCTOSE	A	2FIT	0.71
FRU	FRUCTOSE	A	3FIT	0.71
FRU	FRUCTOSE	A,B	1N3Q	0.71
FRU	FRUCTOSE	A	2DWJ	0.71
GLT	5-DEOXY-5-THIO-ALPHA-D-GLUCOSE	A,B	1XLI	0.8
SSO	1,4-DIDEOXY-1,4-[[2S,3S)-2,4-DIHYDROXY- 3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]- D-ARABINITOL INNER SALT	A	1TQS	0.8
TCB	THIOCELLOBIOSE	A	2O9R	0.78
TCB	THIOCELLOBIOSE	A	1IEX	0.78
SR1	5-S-METHYL-5-THIO-ALPHA-D-RIBOFURANOSE	A,B	2PUN	0.78
SR1	5-S-METHYL-5-THIO-ALPHA-D-RIBOFURANOSE	A,B	1Z5N	0.78
SR1	5-S-METHYL-5-THIO-ALPHA-D-RIBOFURANOSE	A,B	2PYW	0.78
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	0.75
SSG	1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYRANOSE	A	1F9O	0.75
SSG	1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYRANOSE	A	1OCJ	0.75
SSG	1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYRANOSE	A	1UOZ	0.75
SSG	1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYRANOSE	A	1H5V	0.75