MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02393780

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
GE2	3,5-DIAMINO-CYCLOHEXANOL	A	1BYJ	0.74
DIG	2,5-DIDEOXY-2,5-IMINO-D-GLUCITOL	A,B	1DID	0.8
AGP	2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATE	A,B,C,D,E,F	1NE7	0.86
AGP	2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATE	A	2ZJ4	0.86
AGP	2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATE	A	1MOS	0.86
AGP	2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATE	A,B	1HOR	0.86
NBV	(2R,3R,4R,5S)-1-BUTYL-2-(HYDROXYMETHYL)PIPERIDINE- 3,4,5-TRIOL	A,B	2V3D	0.71
TOC	2,3,6-TRIDEOXY-2,6-DIAMINO GLUCOSE	A	2TOB	0.73
TOC	2,3,6-TRIDEOXY-2,6-DIAMINO GLUCOSE	A	1TOB	0.73
GLP	GLUCOSAMINE 6-PHOSPHATE	E,F,G,H,P,Q, R,S	2NZ4	0.74
GLP	GLUCOSAMINE 6-PHOSPHATE	A	1MOQ	0.74
GLP	GLUCOSAMINE 6-PHOSPHATE	A	3CXQ	0.74
GLP	GLUCOSAMINE 6-PHOSPHATE	A,B	3B4A	0.74
GLP	GLUCOSAMINE 6-PHOSPHATE	A,B	3B4C	0.74
GLP	GLUCOSAMINE 6-PHOSPHATE	A,B	3B4B	0.74
GLP	GLUCOSAMINE 6-PHOSPHATE	A,B	2VHL	0.74
GLP	GLUCOSAMINE 6-PHOSPHATE	A,B	2Z75	0.74
GLP	GLUCOSAMINE 6-PHOSPHATE	X	2VF5	0.74
GLP	GLUCOSAMINE 6-PHOSPHATE	A,B	2RI1	0.74
1GN	2-DEOXY-2-AMINOGALACTOSE	A,B	3GAL	0.82
AGL	4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE	A	1CPU	0.76
AGL	4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE	A	1NM9	0.76
AGL	4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE	A	1MFV	0.76
AGL	4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE	A	1PIG	0.76
AGL	4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE	X	1Z32	0.76
AGL	4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE	A	1MFU	0.76
AGL	4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE	A	3BLK	0.76
AGL	4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE	X	3BLP	0.76
AGL	4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE	A	3DHP	0.76
TOA	3-DEOXY-3-AMINO GLUCOSE	A	1TOB	0.78
TOA	3-DEOXY-3-AMINO GLUCOSE	A	2TOB	0.78
M6R	5-AMINO-5-DEOXY-1-O-PHOSPHONO-D- MANNITOL	A,B,C,D	2PUV	0.86
2AO	(2S)-2-AMINOHEXAN-1-OL	A,B,C	2AVM	0.71
2AO	(2S)-2-AMINOHEXAN-1-OL	A,I	2O40	0.71
2AO	(2S)-2-AMINOHEXAN-1-OL	A,B,C	2AOD	0.71
2AO	(2S)-2-AMINOHEXAN-1-OL	A,B,C	2AVQ	0.71
2AO	(2S)-2-AMINOHEXAN-1-OL	A,B,C	2AOC	0.71
DAG	4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDE	A	2PIK	0.76
DAG	4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDE	A	6CGT	0.76
DAG	4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDE	A,B	1PIK	0.76
DQQ	2,5-DIDEOXY-2,5-IMINO-D-MANNITOL	A	2AEY	0.8
SGN	N,O6-DISULFO-GLUCOSAMINE	A,B	1FQ9	0.74
SGN	N,O6-DISULFO-GLUCOSAMINE	B	2AXM	0.74
SGN	N,O6-DISULFO-GLUCOSAMINE	A,B	1GMN	0.74
SGN	N,O6-DISULFO-GLUCOSAMINE	A,B	1T8U	0.74
SGN	N,O6-DISULFO-GLUCOSAMINE	A	1BFB	0.74
SGN	N,O6-DISULFO-GLUCOSAMINE	B,D,F,H	1XMN	0.74
SGN	N,O6-DISULFO-GLUCOSAMINE	A,B,C,D,E,F, G,H	1GMO	0.74
SGN	N,O6-DISULFO-GLUCOSAMINE	A,B,C,D,E,F	1AXM	0.74
SGN	N,O6-DISULFO-GLUCOSAMINE	A	1XT3	0.74
SGN	N,O6-DISULFO-GLUCOSAMINE	1	1QQP	0.74
SGN	N,O6-DISULFO-GLUCOSAMINE	A,B	1RID	0.74
SGN	N,O6-DISULFO-GLUCOSAMINE	A	1G5N	0.74
SGN	N,O6-DISULFO-GLUCOSAMINE	A,B	2BRS	0.74
SGN	N,O6-DISULFO-GLUCOSAMINE	A	1HPN	0.74
SGN	N,O6-DISULFO-GLUCOSAMINE	A	1ZA4	0.74
SGN	N,O6-DISULFO-GLUCOSAMINE	1	1ZBA	0.74
SGN	N,O6-DISULFO-GLUCOSAMINE	A	1BFC	0.74
SGN	N,O6-DISULFO-GLUCOSAMINE	A,B,C,D	2VRA	0.74
SGN	N,O6-DISULFO-GLUCOSAMINE	A	2HYV	0.74
SGN	N,O6-DISULFO-GLUCOSAMINE	H,I	3B9F	0.74
SGN	N,O6-DISULFO-GLUCOSAMINE	A,B	3DY0	0.74
SGN	N,O6-DISULFO-GLUCOSAMINE	A	2HYU	0.74
SGN	N,O6-DISULFO-GLUCOSAMINE	B,C,D,E	1E0O	0.74
LKA	5-THIO-A/B-D-MANNOPYRANOSYLAMINE	A	1R33	0.74
XXX	(2R,3S,4R,5R,6R)-6-((1R,2R,3S,4R,6S)- 4,6-DIAMINO-2,3-DIHYDROXYCYCLOHEXYLOXY)- 5-AMINO-2-(AMINOMETHYL)-TETRAHYDRO- 2H-PYRAN-3,4-DIOL	B	2F4S	0.71
XXX	(2R,3S,4R,5R,6R)-6-((1R,2R,3S,4R,6S)- 4,6-DIAMINO-2,3-DIHYDROXYCYCLOHEXYLOXY)- 5-AMINO-2-(AMINOMETHYL)-TETRAHYDRO- 2H-PYRAN-3,4-DIOL	A,B	2FCX	0.71
XXX	(2R,3S,4R,5R,6R)-6-((1R,2R,3S,4R,6S)- 4,6-DIAMINO-2,3-DIHYDROXYCYCLOHEXYLOXY)- 5-AMINO-2-(AMINOMETHYL)-TETRAHYDRO- 2H-PYRAN-3,4-DIOL	B	2ET8	0.71
DMJ	1-DEOXYMANNOJIRIMYCIN	A,B	1KRE	0.81
DMJ	1-DEOXYMANNOJIRIMYCIN	A	1FO2	0.81
DMJ	1-DEOXYMANNOJIRIMYCIN	A	1G6I	0.81
DMJ	1-DEOXYMANNOJIRIMYCIN	A	1HXK	0.81
NOJ	1-DEOXYNOJIRIMYCIN	A,B	1OIM	0.81
NOJ	1-DEOXYNOJIRIMYCIN	A,B	2J77	0.81
NOJ	1-DEOXYNOJIRIMYCIN	A,B	2JKE	0.81
NOJ	1-DEOXYNOJIRIMYCIN	A	3GBE	0.81
NOJ	1-DEOXYNOJIRIMYCIN	A,B	3GXT	0.81
NOJ	1-DEOXYNOJIRIMYCIN	A,B	1DIE	0.81
NOJ	1-DEOXYNOJIRIMYCIN	A	1DOG	0.81
NOJ	1-DEOXYNOJIRIMYCIN	A,B	1I75	0.81
NOJ	1-DEOXYNOJIRIMYCIN	A,B	2PWD	0.81
YTB	(1R,2R,3S,4R,5R)-5-aminocyclopentane- 1,2,3,4-tetrol	A	3DX3	0.88
GP1	GLUCOSAMINE 1-PHOSPHATE	A,B,C	1Q9W	0.74
GP1	GLUCOSAMINE 1-PHOSPHATE	A,B	2OI6	0.74
GP1	GLUCOSAMINE 1-PHOSPHATE	A	2FCP	0.74
GP1	GLUCOSAMINE 1-PHOSPHATE	A	1FCP	0.74
GP1	GLUCOSAMINE 1-PHOSPHATE	A	1UJW	0.74
PA2	PAROMOMYCIN (RING 2)	B	1O9M	0.83
PA2	PAROMOMYCIN (RING 2)	A	1PBR	0.83
BDG	O-2,6-DIAMINO-2,6-DIDEOXY-ALPHA- D-GLUCOPYRANOSE	A	1QD3	0.77
BDG	O-2,6-DIAMINO-2,6-DIDEOXY-ALPHA- D-GLUCOPYRANOSE	B	1O9M	0.77
BDG	O-2,6-DIAMINO-2,6-DIDEOXY-ALPHA- D-GLUCOPYRANOSE	A	1NEM	0.77
GCN	3-DEOXY-D-GLUCOSAMINE	A	1FI1	0.82
GCN	3-DEOXY-D-GLUCOSAMINE	A	1QFG	0.82
GCN	3-DEOXY-D-GLUCOSAMINE	A	1QKC	0.82
GCN	3-DEOXY-D-GLUCOSAMINE	A,B	2GRX	0.82
GCN	3-DEOXY-D-GLUCOSAMINE	A	1QJQ	0.82
GCN	3-DEOXY-D-GLUCOSAMINE	A	1QFF	0.82
GP4	GLUCOSAMINE 4-PHOSPHATE	A	1FCP	0.74
GP4	GLUCOSAMINE 4-PHOSPHATE	A,B,C	1Q9W	0.74
GP4	GLUCOSAMINE 4-PHOSPHATE	A	2FCP	0.74
GOO	(1R,2R,3R,4S,5R)-4-amino-5-methoxycyclopentane- 1,2,3-triol	A	3DX4	0.81
IDG	O-2,6-DIAMINO-2,6-DIDEOXY-BETA- L-IDOPYRANOSE	A	1QD3	0.77
IDG	O-2,6-DIAMINO-2,6-DIDEOXY-BETA- L-IDOPYRANOSE	A	1NEM	0.77
IDG	O-2,6-DIAMINO-2,6-DIDEOXY-BETA- L-IDOPYRANOSE	A	1PBR	0.77
GNS	N-SULFO-ALPHA-D-GLUCOSAMINE	A	2ERM	0.75
H4P	1-DEOXY-6-O-PHOSPHONO-1-[(PHOSPHONOMETHYL)AMINO]- L-THREO-HEXITOL	A,B	1PCW	0.71
CYY	2-DEOXYSTREPTAMINE	A	1QD3	0.89
YHO	(1S,2S,3R,4R)-4-aminocyclopentane- 1,2,3-triol	A	3DX1	0.87
MSN	(1R,2R,3R,4S,5R)-4-AMINO-5-(METHYLTHIO)CYCLOPENTANE- 1,2,3-TRIOL	A	2F7O	0.74
MSN	(1R,2R,3R,4S,5R)-4-AMINO-5-(METHYLTHIO)CYCLOPENTANE- 1,2,3-TRIOL	A	3DX0	0.74
AIG	4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL- TETRAHYDRO-PYRAN-3,5-DIOL	A	1R7Y	0.72
AIG	4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL- TETRAHYDRO-PYRAN-3,5-DIOL	A	1R7X	0.72
AIG	4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL- TETRAHYDRO-PYRAN-3,5-DIOL	A	1R81	0.72
AIG	4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL- TETRAHYDRO-PYRAN-3,5-DIOL	A	1R7V	0.72
AIG	4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL- TETRAHYDRO-PYRAN-3,5-DIOL	A	1R80	0.72
AZF	AZAFAGOMINE	A,B	2J7H	0.72
IMR	IMINORIBITOL	A,B,C	1I80	0.73
1AB	1,4-DIDEOXY-1,4-IMINO-D-ARABINITOL	A	2G9Q	0.73
GDA	4-DEOXY-4-AMINO-BETA-D-GLUCOSE	A,B	1OCB	0.77
AOL	(1R,2R,3S,4S,5R)-5-AMINOCYCLOPENTANE- 1,2,3,4-TETROL	A	2F7Q	0.88
MZB	(1R,2R,3R,4S,5R)-4-amino-5-[(R)- methylsulfinyl]cyclopentane-1,2,3- triol	A	3DX2	0.72
MMN	5-DEOXY-5-{[(1S)-1-HYDROXYETHYL]AMINO}- D-GLUCITOL	A	1XUZ	0.82
CGF	C-(1-AZIDO-ALPHA-D-GLUCOPYRANOSYL) FORMAMIDE	A	1P4G	0.75
GCS	D-GLUCOSAMINE	A	3CO4	0.82
GCS	D-GLUCOSAMINE	A	1QGI	0.82
GCS	D-GLUCOSAMINE	A,B	2VZS	0.82
GCS	D-GLUCOSAMINE	A	1E9L	0.82
GCS	D-GLUCOSAMINE	A,B,C,D	3FXI	0.82
GCS	D-GLUCOSAMINE	A,B	2VZV	0.82
OXZ	TETRAHYDROOXAZINE	A,B	1W3J	0.77
OXZ	TETRAHYDROOXAZINE	A	1W3K	0.77
OXZ	TETRAHYDROOXAZINE	A	1W3L	0.77
PA1	PAROMOMYCIN (RING 1)	A	1PBR	0.82
PA1	PAROMOMYCIN (RING 1)	A	1QKC	0.82
PA1	PAROMOMYCIN (RING 1)	A	1QFG	0.82
PA1	PAROMOMYCIN (RING 1)	A	1FI1	0.82
PA1	PAROMOMYCIN (RING 1)	A,B,C,D	3FXI	0.82
PA1	PAROMOMYCIN (RING 1)	A	1QFF	0.82
2TB	1,3-DIAMINO-4,5,6-TRIHYDROXY-CYCLOHEXANE	A	2TOB	0.87
NEB	2-DEOXY-D-STREPTAMINE	A	1NEM	0.89
DFU	(2S,3R,4S,5R)-2-METHYLPIPERIDINE- 3,4,5-TRIOL	A,B	2EAC	0.72
TOB	1,3-DIAMINO-5,6-DIHYDROXYCYCLOHEXANE	A	1TOB	0.82
MYG	GLUCOSAMINYL-(ALPHA-6)-D-MYO-INOSITOL	A	1GYM	0.74
CGB	CALYSTEGINE B2	A,B	2CBV	0.75