MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02442997

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
GOO	(1R,2R,3R,4S,5R)-4-amino-5-methoxycyclopentane- 1,2,3-triol	A	3DX4	0.83
GCN	3-DEOXY-D-GLUCOSAMINE	A	1FI1	0.81
GCN	3-DEOXY-D-GLUCOSAMINE	A	1QFG	0.81
GCN	3-DEOXY-D-GLUCOSAMINE	A	1QKC	0.81
GCN	3-DEOXY-D-GLUCOSAMINE	A,B	2GRX	0.81
GCN	3-DEOXY-D-GLUCOSAMINE	A	1QJQ	0.81
GCN	3-DEOXY-D-GLUCOSAMINE	A	1QFF	0.81
YTB	(1R,2R,3S,4R,5R)-5-aminocyclopentane- 1,2,3,4-tetrol	A	3DX3	0.8
TOC	2,3,6-TRIDEOXY-2,6-DIAMINO GLUCOSE	A	2TOB	0.75
TOC	2,3,6-TRIDEOXY-2,6-DIAMINO GLUCOSE	A	1TOB	0.75
CR1	1-DEOXY-1-METHOXYCARBAMIDO-BETA- D-GLUCOPYRANOSE	A	1FU7	0.7
IDG	O-2,6-DIAMINO-2,6-DIDEOXY-BETA- L-IDOPYRANOSE	A	1QD3	0.79
IDG	O-2,6-DIAMINO-2,6-DIDEOXY-BETA- L-IDOPYRANOSE	A	1NEM	0.79
IDG	O-2,6-DIAMINO-2,6-DIDEOXY-BETA- L-IDOPYRANOSE	A	1PBR	0.79
RIO	RIBOSTAMYCIN	A,B	1M4G	0.71
RIO	RIBOSTAMYCIN	A,B	3C3Z	0.71
RIO	RIBOSTAMYCIN	A,B	1S3Z	0.71
RIO	RIBOSTAMYCIN	A,B,C,D	2FCZ	0.71
RIO	RIBOSTAMYCIN	A,B	2ET5	0.71
RIO	RIBOSTAMYCIN	A,B	3DVV	0.71
RIO	RIBOSTAMYCIN	A	2BUE	0.71
TOA	3-DEOXY-3-AMINO GLUCOSE	A	1TOB	0.77
TOA	3-DEOXY-3-AMINO GLUCOSE	A	2TOB	0.77
GLP	GLUCOSAMINE 6-PHOSPHATE	E,F,G,H,P,Q, R,S	2NZ4	0.73
GLP	GLUCOSAMINE 6-PHOSPHATE	A	1MOQ	0.73
GLP	GLUCOSAMINE 6-PHOSPHATE	A	3CXQ	0.73
GLP	GLUCOSAMINE 6-PHOSPHATE	A,B	3B4A	0.73
GLP	GLUCOSAMINE 6-PHOSPHATE	A,B	3B4C	0.73
GLP	GLUCOSAMINE 6-PHOSPHATE	A,B	3B4B	0.73
GLP	GLUCOSAMINE 6-PHOSPHATE	A,B	2VHL	0.73
GLP	GLUCOSAMINE 6-PHOSPHATE	A,B	2Z75	0.73
GLP	GLUCOSAMINE 6-PHOSPHATE	X	2VF5	0.73
GLP	GLUCOSAMINE 6-PHOSPHATE	A,B	2RI1	0.73
MMN	5-DEOXY-5-{[(1S)-1-HYDROXYETHYL]AMINO}- D-GLUCITOL	A	1XUZ	0.7
2TB	1,3-DIAMINO-4,5,6-TRIHYDROXY-CYCLOHEXANE	A	2TOB	0.74
GDA	4-DEOXY-4-AMINO-BETA-D-GLUCOSE	A,B	1OCB	0.79
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
AGP	2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATE	A,B,C,D,E,F	1NE7	0.73
AGP	2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATE	A	2ZJ4	0.73
AGP	2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATE	A	1MOS	0.73
AGP	2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATE	A,B	1HOR	0.73
GP4	GLUCOSAMINE 4-PHOSPHATE	A	1FCP	0.73
GP4	GLUCOSAMINE 4-PHOSPHATE	A,B,C	1Q9W	0.73
GP4	GLUCOSAMINE 4-PHOSPHATE	A	2FCP	0.73
SGN	N,O6-DISULFO-GLUCOSAMINE	A,B	1FQ9	0.73
SGN	N,O6-DISULFO-GLUCOSAMINE	B	2AXM	0.73
SGN	N,O6-DISULFO-GLUCOSAMINE	A,B	1GMN	0.73
SGN	N,O6-DISULFO-GLUCOSAMINE	A,B	1T8U	0.73
SGN	N,O6-DISULFO-GLUCOSAMINE	A	1BFB	0.73
SGN	N,O6-DISULFO-GLUCOSAMINE	B,D,F,H	1XMN	0.73
SGN	N,O6-DISULFO-GLUCOSAMINE	A,B,C,D,E,F, G,H	1GMO	0.73
SGN	N,O6-DISULFO-GLUCOSAMINE	A,B,C,D,E,F	1AXM	0.73
SGN	N,O6-DISULFO-GLUCOSAMINE	A	1XT3	0.73
SGN	N,O6-DISULFO-GLUCOSAMINE	1	1QQP	0.73
SGN	N,O6-DISULFO-GLUCOSAMINE	A,B	1RID	0.73
SGN	N,O6-DISULFO-GLUCOSAMINE	A	1G5N	0.73
SGN	N,O6-DISULFO-GLUCOSAMINE	A,B	2BRS	0.73
SGN	N,O6-DISULFO-GLUCOSAMINE	A	1HPN	0.73
SGN	N,O6-DISULFO-GLUCOSAMINE	A	1ZA4	0.73
SGN	N,O6-DISULFO-GLUCOSAMINE	1	1ZBA	0.73
SGN	N,O6-DISULFO-GLUCOSAMINE	A	1BFC	0.73
SGN	N,O6-DISULFO-GLUCOSAMINE	A,B,C,D	2VRA	0.73
SGN	N,O6-DISULFO-GLUCOSAMINE	A	2HYV	0.73
SGN	N,O6-DISULFO-GLUCOSAMINE	H,I	3B9F	0.73
SGN	N,O6-DISULFO-GLUCOSAMINE	A,B	3DY0	0.73
SGN	N,O6-DISULFO-GLUCOSAMINE	A	2HYU	0.73
SGN	N,O6-DISULFO-GLUCOSAMINE	B,C,D,E	1E0O	0.73
M6R	5-AMINO-5-DEOXY-1-O-PHOSPHONO-D- MANNITOL	A,B,C,D	2PUV	0.73
GL6	(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL- TETRAHYDRO-PYRAN-2-YL)-PHOSPHORAMIDIC ACID DIMETHYL ESTER	A	1XC7	0.74
GP1	GLUCOSAMINE 1-PHOSPHATE	A,B,C	1Q9W	0.73
GP1	GLUCOSAMINE 1-PHOSPHATE	A,B	2OI6	0.73
GP1	GLUCOSAMINE 1-PHOSPHATE	A	2FCP	0.73
GP1	GLUCOSAMINE 1-PHOSPHATE	A	1FCP	0.73
GP1	GLUCOSAMINE 1-PHOSPHATE	A	1UJW	0.73
1GN	2-DEOXY-2-AMINOGALACTOSE	A,B	3GAL	0.81
CYY	2-DEOXYSTREPTAMINE	A	1QD3	0.75
DIG	2,5-DIDEOXY-2,5-IMINO-D-GLUCITOL	A,B	1DID	0.73
GRF	5-O-PHOSPHONO-BETA-D-RIBOFURANOSYLAMINE	A	1ZLY	0.8
AGL	4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE	A	1CPU	0.78
AGL	4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE	A	1NM9	0.78
AGL	4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE	A	1MFV	0.78
AGL	4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE	A	1PIG	0.78
AGL	4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE	X	1Z32	0.78
AGL	4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE	A	1MFU	0.78
AGL	4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE	A	3BLK	0.78
AGL	4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE	X	3BLP	0.78
AGL	4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE	A	3DHP	0.78
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
GNS	N-SULFO-ALPHA-D-GLUCOSAMINE	A	2ERM	0.74
YHO	(1S,2S,3R,4R)-4-aminocyclopentane- 1,2,3-triol	A	3DX1	0.79
GCS	D-GLUCOSAMINE	A	3CO4	0.81
GCS	D-GLUCOSAMINE	A	1QGI	0.81
GCS	D-GLUCOSAMINE	A,B	2VZS	0.81
GCS	D-GLUCOSAMINE	A	1E9L	0.81
GCS	D-GLUCOSAMINE	A,B,C,D	3FXI	0.81
GCS	D-GLUCOSAMINE	A,B	2VZV	0.81
PA1	PAROMOMYCIN (RING 1)	A	1PBR	0.81
PA1	PAROMOMYCIN (RING 1)	A	1QKC	0.81
PA1	PAROMOMYCIN (RING 1)	A	1QFG	0.81
PA1	PAROMOMYCIN (RING 1)	A	1FI1	0.81
PA1	PAROMOMYCIN (RING 1)	A,B,C,D	3FXI	0.81
PA1	PAROMOMYCIN (RING 1)	A	1QFF	0.81
DAG	4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDE	A	2PIK	0.78
DAG	4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDE	A	6CGT	0.78
DAG	4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDE	A,B	1PIK	0.78
CGF	C-(1-AZIDO-ALPHA-D-GLUCOPYRANOSYL) FORMAMIDE	A	1P4G	0.77
PA2	PAROMOMYCIN (RING 2)	B	1O9M	0.7
PA2	PAROMOMYCIN (RING 2)	A	1PBR	0.7
LKA	5-THIO-A/B-D-MANNOPYRANOSYLAMINE	A	1R33	0.71
OXZ	TETRAHYDROOXAZINE	A,B	1W3J	0.73
OXZ	TETRAHYDROOXAZINE	A	1W3K	0.73
OXZ	TETRAHYDROOXAZINE	A	1W3L	0.73
NEB	2-DEOXY-D-STREPTAMINE	A	1NEM	0.75
DQQ	2,5-DIDEOXY-2,5-IMINO-D-MANNITOL	A	2AEY	0.73
N30	(1R,2R,3S,4R,6S)-4,6-DIAMINO-2- [(5-AMINO-5-DEOXY-BETA-D-RIBOFURANOSYL)OXY]- 3-HYDROXYCYCLOHEXYL 2-AMINO-2-DEOXY- ALPHA-D-GLUCOPYRANOSIDE	B	2O3X	0.71
MYG	GLUCOSAMINYL-(ALPHA-6)-D-MYO-INOSITOL	A	1GYM	0.73
NOJ	1-DEOXYNOJIRIMYCIN	A,B	1OIM	0.72
NOJ	1-DEOXYNOJIRIMYCIN	A,B	2J77	0.72
NOJ	1-DEOXYNOJIRIMYCIN	A,B	2JKE	0.72
NOJ	1-DEOXYNOJIRIMYCIN	A	3GBE	0.72
NOJ	1-DEOXYNOJIRIMYCIN	A,B	3GXT	0.72
NOJ	1-DEOXYNOJIRIMYCIN	A,B	1DIE	0.72
NOJ	1-DEOXYNOJIRIMYCIN	A	1DOG	0.72
NOJ	1-DEOXYNOJIRIMYCIN	A,B	1I75	0.72
NOJ	1-DEOXYNOJIRIMYCIN	A,B	2PWD	0.72
DMJ	1-DEOXYMANNOJIRIMYCIN	A,B	1KRE	0.72
DMJ	1-DEOXYMANNOJIRIMYCIN	A	1FO2	0.72
DMJ	1-DEOXYMANNOJIRIMYCIN	A	1G6I	0.72
DMJ	1-DEOXYMANNOJIRIMYCIN	A	1HXK	0.72
AOL	(1R,2R,3S,4S,5R)-5-AMINOCYCLOPENTANE- 1,2,3,4-TETROL	A	2F7Q	0.8
BDG	O-2,6-DIAMINO-2,6-DIDEOXY-ALPHA- D-GLUCOPYRANOSE	A	1QD3	0.79
BDG	O-2,6-DIAMINO-2,6-DIDEOXY-ALPHA- D-GLUCOPYRANOSE	B	1O9M	0.79
BDG	O-2,6-DIAMINO-2,6-DIDEOXY-ALPHA- D-GLUCOPYRANOSE	A	1NEM	0.79