MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03781811

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
HLO	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM	A,B	2JEY	0.71
HLO	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM	A,B	2JEZ	0.71
CII	N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide	A	2W0A	0.71
NCA	NICOTINAMIDE	A,B	2E5D	0.74
NCA	NICOTINAMIDE	A,B,C,D	2Z77	0.74
NCA	NICOTINAMIDE	A,B	1DMA	0.74
NCA	NICOTINAMIDE	A,B	1ISM	0.74
NCA	NICOTINAMIDE	A,B	1YC5	0.74
NCA	NICOTINAMIDE	A	2ZB7	0.74
NCA	NICOTINAMIDE	A,B,C,D,E,F, G,H	1R15	0.74
NCA	NICOTINAMIDE	A,B	2QQG	0.74
NCA	NICOTINAMIDE	A	2OTV	0.74
NCA	NICOTINAMIDE	A	2QHF	0.74
NCA	NICOTINAMIDE	A,B,C,D	2C8A	0.74
NCA	NICOTINAMIDE	A,B	2HJH	0.74
NCA	NICOTINAMIDE	A	2A15	0.74
NCA	NICOTINAMIDE	A	2R6V	0.74
NCA	NICOTINAMIDE	A,B	1ISI	0.74
NCA	NICOTINAMIDE	A,D,E	2R9J	0.74
NCA	NICOTINAMIDE	A	2H4J	0.74
NCA	NICOTINAMIDE	A,B	2OD9	0.74
NCA	NICOTINAMIDE	A,B,C,D,E	1YC2	0.74
NCA	NICOTINAMIDE	A,B	3DZG	0.74
NCA	NICOTINAMIDE	A	1OJU	0.74
K27	4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium	A,B	2WHR	0.72
9HX	9-DEAZAHYPOXANTHINE	A,B,C	1I80	0.82
CYE		B	1PQQ	0.72
162	(2-{2-[(5-CARBAMIMIDOYL-1-METHYL- 1H-PYRROL-3-YLMETHYL)-CARBAMOYL]- PYRROL-1-YL} -1-CYCLOHEXYLMETHYL- 2-OXO-ETHYLAMINO)-ACETIC ACID	D,H	1NZQ	0.72
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B,C,D	1W6F	0.72
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2V2E	0.72
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	X	2VCF	0.72
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCS	0.72
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCN	0.72
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B	1XR3	0.72
PYC	PYRROLE-2-CARBOXYLATE	A	1W62	0.75
PYC	PYRROLE-2-CARBOXYLATE	A,B	1L9D	0.75
PYC	PYRROLE-2-CARBOXYLATE	A,B	2CWH	0.75
PYC	PYRROLE-2-CARBOXYLATE	A,B	1W61	0.75
PYC	PYRROLE-2-CARBOXYLATE	A,B	1ELI	0.75
IIP	IMIDAZOLE-PYRROLE POLYAMIDE	A,B	365D	0.75
163	(2-{2-[(5-CARBAMIMIDOYL-1-METHYL- 1H-PYRROL-2-YLMETHYL)-CARBAMOYL]- PYRROL-1-YL}- 1-CYCLOHEXYLMETHYL- 2-OXO-ETHYLAMINO)-ACETIC ACID	D,H	1O0D	0.72
LZ5	N-phenyl-1H-pyrazole-3-carboxamide	A	2VTL	0.73
275	5-amino-1,2-dimethylpyridinium	X	2RBW	0.75
AIK	N-[3-(DIMETHYLAMINO)PROPYL]-2-({[4- ({[4-(FORMYLAMINO)-1-METHYL-1H- PYRROL-2-YL]CARBONYL}AMINO)-1-METHYL- 1H-PYRROL-2-YL]CARBONYL}AMINO)- 5-ISOPROPYL-1,3-THIAZOLE-4-CARBOXAMIDE	A,B	1RMX	0.7
9DG	9-DEAZAGUANINE	A,B,C,D,E	1Q2S	0.8
9DG	9-DEAZAGUANINE	A	1IL4	0.8
9DG	9-DEAZAGUANINE	A,C	1FSG	0.8
9DG	9-DEAZAGUANINE	A,B,C,D	1Q2R	0.8
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHQ	0.72
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHP	0.72
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2GYU	0.72
ILT	MONOIMIDAZOLE LEXITROPSIN	A	1LEY	0.8
ILT	MONOIMIDAZOLE LEXITROPSIN	B	1LEX	0.8
DBQ	DEBROMOHYMENIALDISINE	A	2C3J	0.71
DBQ	DEBROMOHYMENIALDISINE	A,B	1U4D	0.71
DBQ	DEBROMOHYMENIALDISINE	A	2CN8	0.71
DBQ	DEBROMOHYMENIALDISINE	A	1Z57	0.71
HP1	IMIDAZOLE-PYRROLE-HYDROXYPYRROLE POLYAMIDE	A,B	407D	0.74
LZ7	4-(acetylamino)-N-(4-fluorophenyl)- 1H-pyrazole-3-carboxamide	A	2VTN	0.7
19A	N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL- 3-YL)-1H-PYRROLE-2-CARBOXAMIDE	A	2OJG	0.73
P11	IMIDAZOLE-PYRROLE-BETA ALANINE- IMIDAZOLE-BETA ALANINE-IMIDAZOLE- PYRROLE-BETA ALANINE-DIMETHYLAMINO PROPYLAMIDE	A	1LEJ	0.73
34Q	(3R,4R)-4-(pyrrolidin-1-ylcarbonyl)- 1-(quinoxalin-2-ylcarbonyl)pyrrolidin- 3-amine	A	2RIP	0.74
IPY	IMIDAZOLE-PYRROLE POLYAMIDE	A,B	408D	0.75
IPY	IMIDAZOLE-PYRROLE POLYAMIDE	A,B	1CVY	0.75
PYB	4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID	A,D,E,G,I,J	1S32	0.84
PYB	4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID	D,I,J	1M18	0.84
PYB	4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID	E,I,J	1M1A	0.84
PYB	4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID	E,I,J	1M19	0.84
PPX	[PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN- 4-YLAMINO)-ETHYL]-AMINE	E,H	1QBV	0.73
278	1-(1-methyl-1H-pyrrol-2-yl)methanamine	X	2RBV	0.78
BC3	2-amino-7-(pyridin-3-ylmethyl)- 3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin- 4-one	A,B,C	3DJF	0.73
AGE	(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)- 1H-pyrrol-2-yl]prop-2-enamide	A,B,C	3F07	0.74
DMY	DISTAMYCIN A	A	217D	0.83
DMY	DISTAMYCIN A	A	1K2Z	0.83
DMY	DISTAMYCIN A	A,B,E,F	2JT7	0.83
DMY	DISTAMYCIN A	A,B	267D	0.83
DMY	DISTAMYCIN A	A	306D	0.83
DMY	DISTAMYCIN A	A	304D	0.83
DMY	DISTAMYCIN A	A	305D	0.83
DMY	DISTAMYCIN A	A	1JUX	0.83
DMY	DISTAMYCIN A	A	2DND	0.83
DMY	DISTAMYCIN A	A,B,C,D	378D	0.83
DMY	DISTAMYCIN A	B	1JTL	0.83
DMY	DISTAMYCIN A	A	159D	0.83
DMY	DISTAMYCIN A	A	216D	0.83