MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02454343

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
DM2	DOXORUBICIN	A	2DR6	0.83
DM2	DOXORUBICIN	A	1P20	0.83
DM2	DOXORUBICIN	A	1I1E	0.83
DM2	DOXORUBICIN	A	151D	0.83
DM2	DOXORUBICIN	A	1D12	0.83
DM2	DOXORUBICIN	A	1DA9	0.83
DM6	4'-EPIDOXORUBICIN	A	1D15	0.83
DM6	4'-EPIDOXORUBICIN	A	1D54	0.83
DM6	4'-EPIDOXORUBICIN	A	1D58	0.83
DM6	4'-EPIDOXORUBICIN	A	1QDA	0.83
184	6-[HYDROXY-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID	A	1FCX	0.7
AKT	10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT)	A	1Q0R	0.81
DM1	DAUNOMYCIN	A	152D	0.83
DM1	DAUNOMYCIN	A,B,C,D	1O0K	0.83
DM1	DAUNOMYCIN	A	1JO2	0.83
DM1	DAUNOMYCIN	A,B	308D	0.83
DM1	DAUNOMYCIN	A	1D33	0.83
DM1	DAUNOMYCIN	A	110D	0.83
DM1	DAUNOMYCIN	A	1D11	0.83
DM1	DAUNOMYCIN	A	427D	0.83
DM1	DAUNOMYCIN	A	2D34	0.83
DM1	DAUNOMYCIN	A	3F8F	0.83
DM1	DAUNOMYCIN	A	1D10	0.83
DM1	DAUNOMYCIN	A	1DA0	0.83
DDI		A	1R4E	0.78
DDI		A	1P96	0.78
BM6	4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN- 2-YL]-BENZOIC ACID	A	1MVC	0.75
BM6	4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN- 2-YL]-BENZOIC ACID	A,C,E,G	1MZN	0.75
DM4	1-O-DEMETHYL-6-DEOXYDOXORUBICIN	A	1D37	0.86
BDA	4-METHYLBENZYL-N-BIS[DAUNOMYCIN]	A	1AL9	0.74
BDA	4-METHYLBENZYL-N-BIS[DAUNOMYCIN]	A	1AGL	0.74
AKY		A,B,C,D	2IPI	0.77
DM3	6-DEOXYDAUNOMYCIN	A	1D14	0.84
DM7	4'-DEOXY-4'-IODODOXORUBICIN	A	1IMR	0.79
DM7	4'-DEOXY-4'-IODODOXORUBICIN	A	1IMS	0.79
DM5	IDARUBICIN	A,B,D	198D	0.86
DM5	IDARUBICIN	A	1D38	0.86
DM5	IDARUBICIN	A	1D67	0.86
44D	7-[5-(4-AMINO-5-HYDROXY-6-METHYL- TETRAHYDRO-PYRAN-2-YLOXY)-4-HYDROXY- 6-METHYL-TETRAHYDRO-PYRAN-2-YLOXY]- 6,9,11-TRIHYDROXY-9-(2-HYDROXY- ACETYL)-7,8,9,10-TETRAHYDRO-NAPHTHACENE- 5,12-DIONE	A,B	1NAB	0.84
AKA	10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA)	A	1Q0Z	0.78
AI1	N-BENZYL-3-(ALPHA-D-GALACTOS-1- YL)-BENZAMIDE	D,E,F,G,H,L, M,N,O,P	1FD7	0.7
BNR	BIS-DAUNORUBICIN	B	1AMD	0.72
CHR	NEOCARZINOSTATIN-CHROMOPHORE	A	1O5P	0.71
CHR	NEOCARZINOSTATIN-CHROMOPHORE	A,B	1NCO	0.71
BAD	(1S)-2-amino-1-phenylethyl 6-O- beta-L-glucopyranosyl-alpha-D-mannopyranoside	A	2QJE	0.74
CMD	3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)- DOXORUBICIN	A	236D	0.74