MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03260467

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
BDG	O-2,6-DIAMINO-2,6-DIDEOXY-ALPHA- D-GLUCOPYRANOSE	A	1QD3	0.73
BDG	O-2,6-DIAMINO-2,6-DIDEOXY-ALPHA- D-GLUCOPYRANOSE	B	1O9M	0.73
BDG	O-2,6-DIAMINO-2,6-DIDEOXY-ALPHA- D-GLUCOPYRANOSE	A	1NEM	0.73
GCS	D-GLUCOSAMINE	A	3CO4	0.72
GCS	D-GLUCOSAMINE	A	1QGI	0.72
GCS	D-GLUCOSAMINE	A,B	2VZS	0.72
GCS	D-GLUCOSAMINE	A	1E9L	0.72
GCS	D-GLUCOSAMINE	A,B,C,D	3FXI	0.72
GCS	D-GLUCOSAMINE	A,B	2VZV	0.72
TOY	TOBRAMYCIN	A,B	1M4D	0.71
TOY	TOBRAMYCIN	A,B	1LC4	0.71
AR4	2-AMINO-5-(3-FLUORO-3,4-DIHYDROXY- 5-HYDROXYMETHYL-TETRAHYDRO-FURAN- 2-YLOXY)-5-HYDROXY-PENTANOIC ACID	A,B,C	1S2D	0.78
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
PA1	PAROMOMYCIN (RING 1)	A	1PBR	0.72
PA1	PAROMOMYCIN (RING 1)	A	1QKC	0.72
PA1	PAROMOMYCIN (RING 1)	A	1QFG	0.72
PA1	PAROMOMYCIN (RING 1)	A	1FI1	0.72
PA1	PAROMOMYCIN (RING 1)	A,B,C,D	3FXI	0.72
PA1	PAROMOMYCIN (RING 1)	A	1QFF	0.72
IN1	PROPIONIC ACID 2,2-DIHYDROXY-3- (1-GLUCOPYRANOSYLOXY)-METHYLPROPYL ESTER	A,B	4OVW	0.73
MGS	1,2-O-DIMETHYL-4-[2,4-DIHYDROXY- BUTYRAMIDO]-4,6-DIDEOXY-ALPHA-D- MANNOPYRANOSIDE	H	1F4X	0.74
N33		A	2O3V	0.71
AIG	4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL- TETRAHYDRO-PYRAN-3,5-DIOL	A	1R7Y	0.81
AIG	4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL- TETRAHYDRO-PYRAN-3,5-DIOL	A	1R7X	0.81
AIG	4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL- TETRAHYDRO-PYRAN-3,5-DIOL	A	1R81	0.81
AIG	4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL- TETRAHYDRO-PYRAN-3,5-DIOL	A	1R7V	0.81
AIG	4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL- TETRAHYDRO-PYRAN-3,5-DIOL	A	1R80	0.81
TNR	O-(2-ACETAMIDO-2-DEOXY-ALPHA-D- GALACTOPYRANOSYL)-L-SERINE	A,B,C,D	1N47	0.73
TNR	O-(2-ACETAMIDO-2-DEOXY-ALPHA-D- GALACTOPYRANOSYL)-L-SERINE	A	2CGZ	0.73
TNR	O-(2-ACETAMIDO-2-DEOXY-ALPHA-D- GALACTOPYRANOSYL)-L-SERINE	A,B,C,D	2D3S	0.73
TNR	O-(2-ACETAMIDO-2-DEOXY-ALPHA-D- GALACTOPYRANOSYL)-L-SERINE	A	2D7R	0.73
RHC	5-(3-AMINO-4,4-DIHYROXY-BUTYLSULFANYLMETHYL)- TETRAHYDRO-FURAN-2,3,4-TRIOL	A	1JVI	0.7
KNC	KANAMYCIN C	A	1V0C	0.71
TOC	2,3,6-TRIDEOXY-2,6-DIAMINO GLUCOSE	A	2TOB	0.72
TOC	2,3,6-TRIDEOXY-2,6-DIAMINO GLUCOSE	A	1TOB	0.72
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
GTH	3-O-GLUCOPYRANOSYL-THREONINE-[2- DEOXY-2-ACETAMIDO-GLUCOPYRANOSIDE]	A	1WCT	0.71
AEI	THREONINE-ASPARTIC ESTER	A,B,C,D	4ECA	0.72
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	0.73
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	0.73
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	0.73
TOA	3-DEOXY-3-AMINO GLUCOSE	A	1TOB	0.76
TOA	3-DEOXY-3-AMINO GLUCOSE	A	2TOB	0.76
GCN	3-DEOXY-D-GLUCOSAMINE	A	1FI1	0.72
GCN	3-DEOXY-D-GLUCOSAMINE	A	1QFG	0.72
GCN	3-DEOXY-D-GLUCOSAMINE	A	1QKC	0.72
GCN	3-DEOXY-D-GLUCOSAMINE	A,B	2GRX	0.72
GCN	3-DEOXY-D-GLUCOSAMINE	A	1QJQ	0.72
GCN	3-DEOXY-D-GLUCOSAMINE	A	1QFF	0.72
MYG	GLUCOSAMINYL-(ALPHA-6)-D-MYO-INOSITOL	A	1GYM	0.77
DAG	4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDE	A	2PIK	0.74
DAG	4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDE	A	6CGT	0.74
DAG	4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDE	A,B	1PIK	0.74
MGU	2-O-[2-O-METHYL-4-[2,4-DIHYDROXY- BUTYRAMIDO]-4,6-DIDEOXY-]-ALPHA- D-MANNOPYRANOSYL-[1-O-METHYL-4- [2,4-DIHYDROXY-BUTYRAMIDO]-4,6- DIDEOXY]-ALPHA-D-MANNOPYRANOSE	H	1F4Y	0.71
MUR	MURAMIC ACID	A,C,E,G	1LOD	0.78
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
AOG	4-AMINO-2-OCTYLOXY-6-HYDROXYMETHYL- TETRAHYDRO-PYRAN-3,5-DIOL	A	1R82	0.78
GDA	4-DEOXY-4-AMINO-BETA-D-GLUCOSE	A,B	1OCB	0.75
AD7	octyl 3-amino-3-deoxy-2-O-(2,6- dideoxy-alpha-L-lyxo-hexopyranosyl)- beta-D-galactopyranoside	A	2RJ9	0.74
AD7	octyl 3-amino-3-deoxy-2-O-(2,6- dideoxy-alpha-L-lyxo-hexopyranosyl)- beta-D-galactopyranoside	A	2RJ4	0.74
1GN	2-DEOXY-2-AMINOGALACTOSE	A,B	3GAL	0.72
AGL	4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE	A	1CPU	0.74
AGL	4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE	A	1NM9	0.74
AGL	4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE	A	1MFV	0.74
AGL	4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE	A	1PIG	0.74
AGL	4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE	X	1Z32	0.74
AGL	4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE	A	1MFU	0.74
AGL	4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE	A	3BLK	0.74
AGL	4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE	X	3BLP	0.74
AGL	4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE	A	3DHP	0.74
IDG	O-2,6-DIAMINO-2,6-DIDEOXY-BETA- L-IDOPYRANOSE	A	1QD3	0.73
IDG	O-2,6-DIAMINO-2,6-DIDEOXY-BETA- L-IDOPYRANOSE	A	1NEM	0.73
IDG	O-2,6-DIAMINO-2,6-DIDEOXY-BETA- L-IDOPYRANOSE	A	1PBR	0.73
AMV	METHYL 2-(ACETYLAMINO)-3-O-[(1R)- 1-CARBOXYETHYL]-2-DEOXY-BETA-D- GLUCOPYRANOSIDE	A	2J8G	0.71
AMV	METHYL 2-(ACETYLAMINO)-3-O-[(1R)- 1-CARBOXYETHYL]-2-DEOXY-BETA-D- GLUCOPYRANOSIDE	A	2J8F	0.71