MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02448575

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
GRF	5-O-PHOSPHONO-BETA-D-RIBOFURANOSYLAMINE	A	1ZLY	0.73
MYG	GLUCOSAMINYL-(ALPHA-6)-D-MYO-INOSITOL	A	1GYM	0.76
AD7	octyl 3-amino-3-deoxy-2-O-(2,6- dideoxy-alpha-L-lyxo-hexopyranosyl)- beta-D-galactopyranoside	A	2RJ9	0.71
AD7	octyl 3-amino-3-deoxy-2-O-(2,6- dideoxy-alpha-L-lyxo-hexopyranosyl)- beta-D-galactopyranoside	A	2RJ4	0.71
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	0.74
GCS	D-GLUCOSAMINE	A	3CO4	0.74
GCS	D-GLUCOSAMINE	A	1QGI	0.74
GCS	D-GLUCOSAMINE	A,B	2VZS	0.74
GCS	D-GLUCOSAMINE	A	1E9L	0.74
GCS	D-GLUCOSAMINE	A,B,C,D	3FXI	0.74
GCS	D-GLUCOSAMINE	A,B	2VZV	0.74
NMY	NEOMYCIN	A	2B0Q	0.72
NMY	NEOMYCIN	4,B	2QP1	0.72
NMY	NEOMYCIN	A,B	2ET4	0.72
NMY	NEOMYCIN	A,E,N	2QAN	0.72
NMY	NEOMYCIN	A,B	2FCY	0.72
NMY	NEOMYCIN	A	2QP0	0.72
NMY	NEOMYCIN	A	1I9V	0.72
NMY	NEOMYCIN	A	2QAL	0.72
NMY	NEOMYCIN	4,B	2QOZ	0.72
NMY	NEOMYCIN	A,C	2A04	0.72
NMY	NEOMYCIN	A	1EI2	0.72
NMY	NEOMYCIN	A,B	3C7R	0.72
NMY	NEOMYCIN	4,B	2QAM	0.72
NMY	NEOMYCIN	4,B	2QAO	0.72
NMY	NEOMYCIN	A	2QOY	0.72
PA1	PAROMOMYCIN (RING 1)	A	1PBR	0.74
PA1	PAROMOMYCIN (RING 1)	A	1QKC	0.74
PA1	PAROMOMYCIN (RING 1)	A	1QFG	0.74
PA1	PAROMOMYCIN (RING 1)	A	1FI1	0.74
PA1	PAROMOMYCIN (RING 1)	A,B,C,D	3FXI	0.74
PA1	PAROMOMYCIN (RING 1)	A	1QFF	0.74
BDG	O-2,6-DIAMINO-2,6-DIDEOXY-ALPHA- D-GLUCOPYRANOSE	A	1QD3	0.72
BDG	O-2,6-DIAMINO-2,6-DIDEOXY-ALPHA- D-GLUCOPYRANOSE	B	1O9M	0.72
BDG	O-2,6-DIAMINO-2,6-DIDEOXY-ALPHA- D-GLUCOPYRANOSE	A	1NEM	0.72
GL6	(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL- TETRAHYDRO-PYRAN-2-YL)-PHOSPHORAMIDIC ACID DIMETHYL ESTER	A	1XC7	0.74
AIG	4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL- TETRAHYDRO-PYRAN-3,5-DIOL	A	1R7Y	0.8
AIG	4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL- TETRAHYDRO-PYRAN-3,5-DIOL	A	1R7X	0.8
AIG	4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL- TETRAHYDRO-PYRAN-3,5-DIOL	A	1R81	0.8
AIG	4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL- TETRAHYDRO-PYRAN-3,5-DIOL	A	1R7V	0.8
AIG	4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL- TETRAHYDRO-PYRAN-3,5-DIOL	A	1R80	0.8
TOA	3-DEOXY-3-AMINO GLUCOSE	A	1TOB	0.73
TOA	3-DEOXY-3-AMINO GLUCOSE	A	2TOB	0.73
IDG	O-2,6-DIAMINO-2,6-DIDEOXY-BETA- L-IDOPYRANOSE	A	1QD3	0.72
IDG	O-2,6-DIAMINO-2,6-DIDEOXY-BETA- L-IDOPYRANOSE	A	1NEM	0.72
IDG	O-2,6-DIAMINO-2,6-DIDEOXY-BETA- L-IDOPYRANOSE	A	1PBR	0.72
1GN	2-DEOXY-2-AMINOGALACTOSE	A,B	3GAL	0.74
CR1	1-DEOXY-1-METHOXYCARBAMIDO-BETA- D-GLUCOPYRANOSE	A	1FU7	0.71
GDA	4-DEOXY-4-AMINO-BETA-D-GLUCOSE	A,B	1OCB	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	0.74
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	A,B	2FCX	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	2ET8	0.74
MUR	MURAMIC ACID	A,C,E,G	1LOD	0.7
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
GOO	(1R,2R,3R,4S,5R)-4-amino-5-methoxycyclopentane- 1,2,3-triol	A	3DX4	0.72
ABL	6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY- 6-HYDROXYMETHYL-TETRAHYDRO-PYRAN- 2-YLOXY)-PIPERIDINE-2,3,4-TRIOL	A,B	1NAA	0.71
ABL	6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY- 6-HYDROXYMETHYL-TETRAHYDRO-PYRAN- 2-YLOXY)-PIPERIDINE-2,3,4-TRIOL	A	2AXR	0.71
TOC	2,3,6-TRIDEOXY-2,6-DIAMINO GLUCOSE	A	2TOB	0.71
TOC	2,3,6-TRIDEOXY-2,6-DIAMINO GLUCOSE	A	1TOB	0.71
RIO	RIBOSTAMYCIN	A,B	1M4G	0.74
RIO	RIBOSTAMYCIN	A,B	3C3Z	0.74
RIO	RIBOSTAMYCIN	A,B	1S3Z	0.74
RIO	RIBOSTAMYCIN	A,B,C,D	2FCZ	0.74
RIO	RIBOSTAMYCIN	A,B	2ET5	0.74
RIO	RIBOSTAMYCIN	A,B	3DVV	0.74
RIO	RIBOSTAMYCIN	A	2BUE	0.74
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
AOG	4-AMINO-2-OCTYLOXY-6-HYDROXYMETHYL- TETRAHYDRO-PYRAN-3,5-DIOL	A	1R82	0.77
GCN	3-DEOXY-D-GLUCOSAMINE	A	1FI1	0.74
GCN	3-DEOXY-D-GLUCOSAMINE	A	1QFG	0.74
GCN	3-DEOXY-D-GLUCOSAMINE	A	1QKC	0.74
GCN	3-DEOXY-D-GLUCOSAMINE	A,B	2GRX	0.74
GCN	3-DEOXY-D-GLUCOSAMINE	A	1QJQ	0.74
GCN	3-DEOXY-D-GLUCOSAMINE	A	1QFF	0.74
PAR	PAROMOMYCIN	A	1FYP	0.72
PAR	PAROMOMYCIN	V,Z	2J02	0.72
PAR	PAROMOMYCIN	Z	2UXD	0.72
PAR	PAROMOMYCIN	A,D,N,Y,Z	1N33	0.72
PAR	PAROMOMYCIN	V,Y,Z	2WDM	0.72
PAR	PAROMOMYCIN	Y,Z	2VQE	0.72
PAR	PAROMOMYCIN	A,D,L,N	1IBK	0.72
PAR	PAROMOMYCIN	Z	2UXB	0.72
PAR	PAROMOMYCIN	Y,Z	2UU9	0.72
PAR	PAROMOMYCIN	Z	2UXC	0.72
PAR	PAROMOMYCIN	A,D,N,X	1XMQ	0.72
PAR	PAROMOMYCIN	B	2O3W	0.72
PAR	PAROMOMYCIN	V,Y,Z	2WDG	0.72
PAR	PAROMOMYCIN	A	2Z4K	0.72
PAR	PAROMOMYCIN	4,B	2Z4N	0.72
PAR	PAROMOMYCIN	V,Y,Z	2WDK	0.72
PAR	PAROMOMYCIN	A,E	2Z4M	0.72
PAR	PAROMOMYCIN	A,B,C,D	3BNQ	0.72
PAR	PAROMOMYCIN	Y,Z	2UUB	0.72
PAR	PAROMOMYCIN	A,D,H,N	1FJG	0.72
PAR	PAROMOMYCIN	A,B	1J7T	0.72
PAR	PAROMOMYCIN	Y,Z	2UUA	0.72
PAR	PAROMOMYCIN	Y,Z	2UUC	0.72
PAR	PAROMOMYCIN	A,D,J,N,X	1XNQ	0.72
PAR	PAROMOMYCIN	A,D,E,J,M,N,Y	1N32	0.72
PAR	PAROMOMYCIN	A	2VQY	0.72
PAR	PAROMOMYCIN	A,B	3C44	0.72
PAR	PAROMOMYCIN	V,Z	2J00	0.72
PAR	PAROMOMYCIN	4,B	2Z4L	0.72
PAR	PAROMOMYCIN	V,Y,Z	2WDH	0.72
PAR	PAROMOMYCIN	A,D,J,N,Y	1IBL	0.72
PAR	PAROMOMYCIN	A,B,C,D	3BNR	0.72
PAR	PAROMOMYCIN	A,D,J,N,X	1XMO	0.72
PAR	PAROMOMYCIN	Y,Z	2VQF	0.72
PAR	PAROMOMYCIN	A,D,J,N,X	1XNR	0.72
B19	N-{[(3AS,5AR,8AR,8BS)-2,2,7,7-TETRAMETHYLTETRAHYDRO- 3AH-BIS[1,3]DIOXOLO[4,5-B:4',5'- D]PYRAN-3A-YL]METHYL}SULFAMIDE	A	2H15	0.77