MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02451929

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
TDG	THIODIGALACTOSIDE	A,B	1PV7	0.84
TDG	THIODIGALACTOSIDE	A,B	1A78	0.84
TDG	THIODIGALACTOSIDE	D,E,F,G,H	1LT5	0.84
TDG	THIODIGALACTOSIDE	A,B,C,D,E	1MUQ	0.84
NK1	(1R,5S,6S,7R,8S)-1-THIONIABICYCLO[4.3.0]NONAN- 5,7,8-TRIOL	A	2OW6	0.78
MA3	O1-METHYL-4-DEOXY-4-THIO-ALPHA- D-GLUCOSE	A	1OCJ	0.71
MA3	O1-METHYL-4-DEOXY-4-THIO-ALPHA- D-GLUCOSE	A	1JFH	0.71
MA3	O1-METHYL-4-DEOXY-4-THIO-ALPHA- D-GLUCOSE	A	1H5V	0.71
MA3	O1-METHYL-4-DEOXY-4-THIO-ALPHA- D-GLUCOSE	A	1OC7	0.71
FSA	1-S-(carboxymethyl)-1-thio-beta- D-fructopyranose	A,B	3DJE	0.8
GS1	1-THIO-BETA-D-GLUCOPYRANOSE	A,B	1KFG	0.83
GLT	5-DEOXY-5-THIO-ALPHA-D-GLUCOSE	A,B	1XLI	1
SOG	2-HYDROXYMETHYL-6-OCTYLSULFANYL- TETRAHYDRO-PYRAN-3,4,5-TRIOL	A	1J2Z	0.84
SOG	2-HYDROXYMETHYL-6-OCTYLSULFANYL- TETRAHYDRO-PYRAN-3,4,5-TRIOL	A,B	1VA5	0.84
SOG	2-HYDROXYMETHYL-6-OCTYLSULFANYL- TETRAHYDRO-PYRAN-3,4,5-TRIOL	A,B,C,D	2VT4	0.84
MTL	D-MANNITOL	A,B	1ZZU	0.74
MTL	D-MANNITOL	A,B	1ZZQ	0.74
MTL	D-MANNITOL	A,B	1M2W	0.74
MTL	D-MANNITOL	A	2VFU	0.74
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
NK2	(1R,6S,7R,8S)-1-THIONIABICYCLO[4.3.0]NONAN- 7,8-DIOL	A	2OW7	0.75
3HD	3-O-METHYL-O-ALPHA-D-MANNOPYRANOSYL	A	2HGO	0.72
CBU	(1R,2R,3S,4S,5S,6S)-CYCLOHEXANE- 1,2,3,4,5,6-HEXOL	A,B	2VT0	0.75
LKA	5-THIO-A/B-D-MANNOPYRANOSYLAMINE	A	1R33	0.74
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	B	2PL7	0.86
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	F,H	2PL6	0.86
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A,B	1U19	0.86
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A	2VNJ	0.86
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A,B,C,D,E,F, G,H	3EJE	0.86
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A,B	2G87	0.86
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A,B	2PED	0.86
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A	2VNI	0.86
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A,B,C,D,E,F, G,H	3EJB	0.86
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A	2VNH	0.86
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A	2BGI	0.86
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A,B,C,D,E,F, G,H	3EJD	0.86
HTG	HEPTYL 1-THIOHEXOPYRANOSIDE	A,B	2HPY	0.86
INS	1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE	A	3BXD	0.75
INS	1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE	A	1IEV	0.75
INS	1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE	A	1PTG	0.75
INS	1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE	A,B,C	2OS9	0.75
INS	1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE	A,B,C,D	2R71	0.75
INS	1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE	A,B	1G0I	0.75
INS	1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE	A	2HUO	0.75
INS	1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE	A,B	1Y7V	0.75
INS	1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE	A	1AOD	0.75
INS	1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE	A,B	3EA2	0.75
RNT	L-RHAMNITOL	A,B,C,D	1DE5	0.73
BGS	BETA-D-GLUCOPYRANOSYLSULFONYLETHANE	A	2B5Z	0.81
SSD	1,4-DIDEOXY-1,4-[[2R,3R)-2,4-DIHYDROXY- 3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]- D-ARABINITOL INNER SALT	A	1TQT	0.76
MA1	1,4-dithio-alpha-D-glucopyranose	A	1JFH	0.81
WZ1	methyl 3-S-alpha-D-mannopyranosyl- 3-thio-alpha-D-mannopyranoside	A	3BVT	0.73
MA2	4-S-methyl-4-thio-alpha-D-glucopyranose	A	1JFH	0.81
SSO	1,4-DIDEOXY-1,4-[[2S,3S)-2,4-DIHYDROXY- 3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]- D-ARABINITOL INNER SALT	A	1TQS	0.76
GTM	O1-METHYL-4-DEOXY-4-THIO-BETA-D- GLUCOSE	A,B	1OCB	0.71
GTM	O1-METHYL-4-DEOXY-4-THIO-BETA-D- GLUCOSE	A	1P6W	0.71
SOR	D-SORBITOL	A	1FQA	0.74
SOR	D-SORBITOL	A,B,C,D	3XIM	0.74
SOR	D-SORBITOL	A	2VFT	0.74
SOR	D-SORBITOL	A,B,C,D	5XIM	0.74
SOR	D-SORBITOL	A	3BRF	0.74
SOR	D-SORBITOL	A	1XIH	0.74
SOR	D-SORBITOL	A	2DXR	0.74
SOR	D-SORBITOL	A	1D8C	0.74
SOR	D-SORBITOL	A,B,C,D	2XIN	0.74
SOR	D-SORBITOL	A	1FQB	0.74
SOR	D-SORBITOL	A,B	4XIA	0.74
GLF	1-FLUORO-ALPHA-1-DEOXY-D-GLUCOSE	A	1CXL	0.71
IPT	ISOPROPYL-1-BETA-D-THIOGALACTOSIDE	A,B	1NA0	0.88
IPT	ISOPROPYL-1-BETA-D-THIOGALACTOSIDE	A,B,C,D	1LBH	0.88
IPT	ISOPROPYL-1-BETA-D-THIOGALACTOSIDE	A,B,C,D	1TLF	0.88
IPT	ISOPROPYL-1-BETA-D-THIOGALACTOSIDE	A,B	1NA3	0.88
IPT	ISOPROPYL-1-BETA-D-THIOGALACTOSIDE	A,B,C,D	1PX4	0.88
IPT	ISOPROPYL-1-BETA-D-THIOGALACTOSIDE	A,B,C	1KRU	0.88
IPT	ISOPROPYL-1-BETA-D-THIOGALACTOSIDE	A,B,C,D	3DYO	0.88
IPT	ISOPROPYL-1-BETA-D-THIOGALACTOSIDE	A,B	2P9H	0.88
IPT	ISOPROPYL-1-BETA-D-THIOGALACTOSIDE	A,B,C,D	1JYX	0.88
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	0.74
TCB	THIOCELLOBIOSE	A	2O9R	0.77
TCB	THIOCELLOBIOSE	A	1IEX	0.77
SMD	METHYL-2-S-(ALPHA-D-MANNOPYRANOSYL)- 2-THIO-ALPHA-D-MANNOPYRANOSIDE	A	1X9D	0.73
FOC	FUCITOL	A,B,C,D,E,F	1FUI	0.73
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