MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03874511

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
GAC	DIHYDRO-ACARBOSE	A	1GAI	0.74
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
TOY	TOBRAMYCIN	A,B	1M4D	0.71
TOY	TOBRAMYCIN	A,B	1LC4	0.71
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	0.72
TOA	3-DEOXY-3-AMINO GLUCOSE	A	2TOB	0.72
PA1	PAROMOMYCIN (RING 1)	A	1PBR	0.78
PA1	PAROMOMYCIN (RING 1)	A	1QKC	0.78
PA1	PAROMOMYCIN (RING 1)	A	1QFG	0.78
PA1	PAROMOMYCIN (RING 1)	A	1FI1	0.78
PA1	PAROMOMYCIN (RING 1)	A,B,C,D	3FXI	0.78
PA1	PAROMOMYCIN (RING 1)	A	1QFF	0.78
BDG	O-2,6-DIAMINO-2,6-DIDEOXY-ALPHA- D-GLUCOPYRANOSE	A	1QD3	0.74
BDG	O-2,6-DIAMINO-2,6-DIDEOXY-ALPHA- D-GLUCOPYRANOSE	B	1O9M	0.74
BDG	O-2,6-DIAMINO-2,6-DIDEOXY-ALPHA- D-GLUCOPYRANOSE	A	1NEM	0.74
GCS	D-GLUCOSAMINE	A	3CO4	0.78
GCS	D-GLUCOSAMINE	A	1QGI	0.78
GCS	D-GLUCOSAMINE	A,B	2VZS	0.78
GCS	D-GLUCOSAMINE	A	1E9L	0.78
GCS	D-GLUCOSAMINE	A,B,C,D	3FXI	0.78
GCS	D-GLUCOSAMINE	A,B	2VZV	0.78
N33		A	2O3V	0.71
9MR	(3R,4R,5R)-3-HYDROXY-5-(HYDROXYMETHYL)PIPERIDIN- 4-YL BETA-D-GLUCOPYRANOSIDE	A	3CUF	0.7
9MR	(3R,4R,5R)-3-HYDROXY-5-(HYDROXYMETHYL)PIPERIDIN- 4-YL BETA-D-GLUCOPYRANOSIDE	A,B	2OYK	0.7
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	0.76
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	0.76
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	0.76
AOG	4-AMINO-2-OCTYLOXY-6-HYDROXYMETHYL- TETRAHYDRO-PYRAN-3,5-DIOL	A	1R82	0.76
ABL	6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY- 6-HYDROXYMETHYL-TETRAHYDRO-PYRAN- 2-YLOXY)-PIPERIDINE-2,3,4-TRIOL	A,B	1NAA	0.7
ABL	6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY- 6-HYDROXYMETHYL-TETRAHYDRO-PYRAN- 2-YLOXY)-PIPERIDINE-2,3,4-TRIOL	A	2AXR	0.7
QPU	1,5-anhydro-4-O-(4,6-dideoxy-4- {[(1S,2S,3S,4R,5S,6R)-2,3,4,6-tetrahydroxy- 5-methylcyclohexyl]amino}-alpha- D-glucopyranosyl)-D-glucitol	A,B,C	2QPU	0.76
KNC	KANAMYCIN C	A	1V0C	0.71
XAO	CYCLOHEXYLMETHYL-2,3-DIHYDROXY- 5-METHYL-HEXYLAMIDE	A	1FQ6	0.75
XAO	CYCLOHEXYLMETHYL-2,3-DIHYDROXY- 5-METHYL-HEXYLAMIDE	I,J	1PSA	0.75
XAO	CYCLOHEXYLMETHYL-2,3-DIHYDROXY- 5-METHYL-HEXYLAMIDE	E,I	1EPQ	0.75
GOO	(1R,2R,3R,4S,5R)-4-amino-5-methoxycyclopentane- 1,2,3-triol	A	3DX4	0.71
A16	4-O-(4,6-dideoxy-4-{[(1S,2S,3S,4R,5S)- 2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}- alpha-D-glucopyranosyl)-beta-D- glucopyranose	A,B	2VR5	0.76
9CS	(1R,2S,3S,4R,6S)-4,6-DIAMINO-3- [(3-AMINO-3-DEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]- 2-HYDROXYCYCLOHEXYL 2,6-DIAMINO- 2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSIDE	A	2QIR	0.71
KAN	KANAMYCIN A	A	1L8T	0.71
KAN	KANAMYCIN A	A,B	1M4I	0.71
KAN	KANAMYCIN A	A,B	1ND4	0.71
KAN	KANAMYCIN A	A,B	1KNY	0.71
KAN	KANAMYCIN A	A,B	2ESI	0.71
NEB	2-DEOXY-D-STREPTAMINE	A	1NEM	0.7
GP4	GLUCOSAMINE 4-PHOSPHATE	A	1FCP	0.71
GP4	GLUCOSAMINE 4-PHOSPHATE	A,B,C	1Q9W	0.71
GP4	GLUCOSAMINE 4-PHOSPHATE	A	2FCP	0.71
MYG	GLUCOSAMINYL-(ALPHA-6)-D-MYO-INOSITOL	A	1GYM	0.78
GCN	3-DEOXY-D-GLUCOSAMINE	A	1FI1	0.78
GCN	3-DEOXY-D-GLUCOSAMINE	A	1QFG	0.78
GCN	3-DEOXY-D-GLUCOSAMINE	A	1QKC	0.78
GCN	3-DEOXY-D-GLUCOSAMINE	A,B	2GRX	0.78
GCN	3-DEOXY-D-GLUCOSAMINE	A	1QJQ	0.78
GCN	3-DEOXY-D-GLUCOSAMINE	A	1QFF	0.78
GP1	GLUCOSAMINE 1-PHOSPHATE	A,B,C	1Q9W	0.71
GP1	GLUCOSAMINE 1-PHOSPHATE	A,B	2OI6	0.71
GP1	GLUCOSAMINE 1-PHOSPHATE	A	2FCP	0.71
GP1	GLUCOSAMINE 1-PHOSPHATE	A	1FCP	0.71
GP1	GLUCOSAMINE 1-PHOSPHATE	A	1UJW	0.71
SGN	N,O6-DISULFO-GLUCOSAMINE	A,B	1FQ9	0.71
SGN	N,O6-DISULFO-GLUCOSAMINE	B	2AXM	0.71
SGN	N,O6-DISULFO-GLUCOSAMINE	A,B	1GMN	0.71
SGN	N,O6-DISULFO-GLUCOSAMINE	A,B	1T8U	0.71
SGN	N,O6-DISULFO-GLUCOSAMINE	A	1BFB	0.71
SGN	N,O6-DISULFO-GLUCOSAMINE	B,D,F,H	1XMN	0.71
SGN	N,O6-DISULFO-GLUCOSAMINE	A,B,C,D,E,F, G,H	1GMO	0.71
SGN	N,O6-DISULFO-GLUCOSAMINE	A,B,C,D,E,F	1AXM	0.71
SGN	N,O6-DISULFO-GLUCOSAMINE	A	1XT3	0.71
SGN	N,O6-DISULFO-GLUCOSAMINE	1	1QQP	0.71
SGN	N,O6-DISULFO-GLUCOSAMINE	A,B	1RID	0.71
SGN	N,O6-DISULFO-GLUCOSAMINE	A	1G5N	0.71
SGN	N,O6-DISULFO-GLUCOSAMINE	A,B	2BRS	0.71
SGN	N,O6-DISULFO-GLUCOSAMINE	A	1HPN	0.71
SGN	N,O6-DISULFO-GLUCOSAMINE	A	1ZA4	0.71
SGN	N,O6-DISULFO-GLUCOSAMINE	1	1ZBA	0.71
SGN	N,O6-DISULFO-GLUCOSAMINE	A	1BFC	0.71
SGN	N,O6-DISULFO-GLUCOSAMINE	A,B,C,D	2VRA	0.71
SGN	N,O6-DISULFO-GLUCOSAMINE	A	2HYV	0.71
SGN	N,O6-DISULFO-GLUCOSAMINE	H,I	3B9F	0.71
SGN	N,O6-DISULFO-GLUCOSAMINE	A,B	3DY0	0.71
SGN	N,O6-DISULFO-GLUCOSAMINE	A	2HYU	0.71
SGN	N,O6-DISULFO-GLUCOSAMINE	B,C,D,E	1E0O	0.71
CGF	C-(1-AZIDO-ALPHA-D-GLUCOPYRANOSYL) FORMAMIDE	A	1P4G	0.77
2TB	1,3-DIAMINO-4,5,6-TRIHYDROXY-CYCLOHEXANE	A	2TOB	0.71
IDG	O-2,6-DIAMINO-2,6-DIDEOXY-BETA- L-IDOPYRANOSE	A	1QD3	0.74
IDG	O-2,6-DIAMINO-2,6-DIDEOXY-BETA- L-IDOPYRANOSE	A	1NEM	0.74
IDG	O-2,6-DIAMINO-2,6-DIDEOXY-BETA- L-IDOPYRANOSE	A	1PBR	0.74
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
AGL	4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE	A	1CPU	0.73
AGL	4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE	A	1NM9	0.73
AGL	4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE	A	1MFV	0.73
AGL	4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE	A	1PIG	0.73
AGL	4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE	X	1Z32	0.73
AGL	4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE	A	1MFU	0.73
AGL	4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE	A	3BLK	0.73
AGL	4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE	X	3BLP	0.73
AGL	4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE	A	3DHP	0.73
CYY	2-DEOXYSTREPTAMINE	A	1QD3	0.7
AIG	4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL- TETRAHYDRO-PYRAN-3,5-DIOL	A	1R7Y	0.74
AIG	4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL- TETRAHYDRO-PYRAN-3,5-DIOL	A	1R7X	0.74
AIG	4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL- TETRAHYDRO-PYRAN-3,5-DIOL	A	1R81	0.74
AIG	4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL- TETRAHYDRO-PYRAN-3,5-DIOL	A	1R7V	0.74
AIG	4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL- TETRAHYDRO-PYRAN-3,5-DIOL	A	1R80	0.74
1GN	2-DEOXY-2-AMINOGALACTOSE	A,B	3GAL	0.78
GNS	N-SULFO-ALPHA-D-GLUCOSAMINE	A	2ERM	0.72
GDA	4-DEOXY-4-AMINO-BETA-D-GLUCOSE	A,B	1OCB	0.74
GET	GENETICIN	A	1MWL	0.71
GET	GENETICIN	A,B,C,D	1NJJ	0.71
DAG	4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDE	A	2PIK	0.73
DAG	4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDE	A	6CGT	0.73
DAG	4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDE	A,B	1PIK	0.73
ISX	GLUCOSE BETA-1,3-ISOFAGAMINE	A	2BVD	0.71
AD7	octyl 3-amino-3-deoxy-2-O-(2,6- dideoxy-alpha-L-lyxo-hexopyranosyl)- beta-D-galactopyranoside	A	2RJ9	0.73
AD7	octyl 3-amino-3-deoxy-2-O-(2,6- dideoxy-alpha-L-lyxo-hexopyranosyl)- beta-D-galactopyranoside	A	2RJ4	0.73
GLP	GLUCOSAMINE 6-PHOSPHATE	E,F,G,H,P,Q, R,S	2NZ4	0.71
GLP	GLUCOSAMINE 6-PHOSPHATE	A	1MOQ	0.71
GLP	GLUCOSAMINE 6-PHOSPHATE	A	3CXQ	0.71
GLP	GLUCOSAMINE 6-PHOSPHATE	A,B	3B4A	0.71
GLP	GLUCOSAMINE 6-PHOSPHATE	A,B	3B4C	0.71
GLP	GLUCOSAMINE 6-PHOSPHATE	A,B	3B4B	0.71
GLP	GLUCOSAMINE 6-PHOSPHATE	A,B	2VHL	0.71
GLP	GLUCOSAMINE 6-PHOSPHATE	A,B	2Z75	0.71
GLP	GLUCOSAMINE 6-PHOSPHATE	X	2VF5	0.71
GLP	GLUCOSAMINE 6-PHOSPHATE	A,B	2RI1	0.71
MUR	MURAMIC ACID	A,C,E,G	1LOD	0.72