MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03383124

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
NCA	NICOTINAMIDE	A,B	2E5D	0.75
NCA	NICOTINAMIDE	A,B,C,D	2Z77	0.75
NCA	NICOTINAMIDE	A,B	1DMA	0.75
NCA	NICOTINAMIDE	A,B	1ISM	0.75
NCA	NICOTINAMIDE	A,B	1YC5	0.75
NCA	NICOTINAMIDE	A	2ZB7	0.75
NCA	NICOTINAMIDE	A,B,C,D,E,F, G,H	1R15	0.75
NCA	NICOTINAMIDE	A,B	2QQG	0.75
NCA	NICOTINAMIDE	A	2OTV	0.75
NCA	NICOTINAMIDE	A	2QHF	0.75
NCA	NICOTINAMIDE	A,B,C,D	2C8A	0.75
NCA	NICOTINAMIDE	A,B	2HJH	0.75
NCA	NICOTINAMIDE	A	2A15	0.75
NCA	NICOTINAMIDE	A	2R6V	0.75
NCA	NICOTINAMIDE	A,B	1ISI	0.75
NCA	NICOTINAMIDE	A,D,E	2R9J	0.75
NCA	NICOTINAMIDE	A	2H4J	0.75
NCA	NICOTINAMIDE	A,B	2OD9	0.75
NCA	NICOTINAMIDE	A,B,C,D,E	1YC2	0.75
NCA	NICOTINAMIDE	A,B	3DZG	0.75
NCA	NICOTINAMIDE	A	1OJU	0.75
MIL	MILRINONE	A,B	1TLM	0.72
NIO	NICOTINIC ACID	A	1JHQ	0.74
NIO	NICOTINIC ACID	A	1L5L	0.74
NIO	NICOTINIC ACID	A	2F7F	0.74
NIO	NICOTINIC ACID	A	1L5K	0.74
NIO	NICOTINIC ACID	A	1JHY	0.74
NIO	NICOTINIC ACID	A,B	1FSL	0.74
NIO	NICOTINIC ACID	A	1L5M	0.74
NIO	NICOTINIC ACID	A	1LH6	0.74
NIO	NICOTINIC ACID	A	1JHO	0.74
NIO	NICOTINIC ACID	A	3CI8	0.74
NIO	NICOTINIC ACID	A,B,C,D	1ICU	0.74
NIO	NICOTINIC ACID	A,B,C,D,E,F, G,H	3HRD	0.74
NIO	NICOTINIC ACID	A	1JHA	0.74
NIO	NICOTINIC ACID	A	1JHV	0.74
NIO	NICOTINIC ACID	A	1L4N	0.74
NIO	NICOTINIC ACID	A	2LH6	0.74
NIO	NICOTINIC ACID	A	1D0V	0.74
NIO	NICOTINIC ACID	A,B,C,D	1ICV	0.74
NIO	NICOTINIC ACID	A,B	1ICR	0.74
NIO	NICOTINIC ACID	A	1JHR	0.74
PAA	(N-METHYLPYRIDYL)ACETIC ACID	I	1HBT	0.76
K27	4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium	A,B	2WHR	0.77
FXV	METHYL-3-(4'-N-OXOPYRIDYLPHENOYL)- 3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE	A	1KSN	0.72
NA4	4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)- PYRIDIN-3-YL]-BENZOIC ACID	A,C	1RHM	0.72
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B,C	2W2I	0.74
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A	2GKL	0.74
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2VD7	0.74
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2JIG	0.74
NA3	(3S)-3-{[(5-BROMOPYRIDIN-3-YL)CARBONYL]AMINO}- 4-OXOBUTANOIC ACID	A	1RE1	0.72
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B,C,D	1W6F	0.78
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2V2E	0.78
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	X	2VCF	0.78
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCS	0.78
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCN	0.78
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B	1XR3	0.78
MYT	METYRAPONE	A	1PHG	0.73
MYT	METYRAPONE	A	1W0G	0.73
HLO	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM	A,B	2JEY	0.77
HLO	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM	A,B	2JEZ	0.77
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	1YV5	0.71
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A,B	1RQJ	0.71
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	1YQ7	0.71
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	1YHL	0.71
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	2QIS	0.71
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A,B	2O1O	0.71
BP5	3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE	A	2PXH	0.73
PRR	3-(METHYL-PYRIDINIUM)ALANINE	H,I,J	7KME	0.75
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHQ	0.76
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHP	0.76
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2GYU	0.76
DGB	N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE	A,B	2G97	0.75
DGB	N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE	A,B	2GVJ	0.75
NTM	QUINOLINIC ACID	A	3C2O	0.72
NTM	QUINOLINIC ACID	A,B	1QAP	0.72
NTM	QUINOLINIC ACID	A,B,C,D,E,F	1QPQ	0.72
NTM	QUINOLINIC ACID	A,B,C	2B7N	0.72
PAQ	2-OXY-4-HYDROXY-5-(2-HYDRAZINOPYRIDINE)PHENYLALANINE	A,B,C,D	2C11	0.75
PAQ	2-OXY-4-HYDROXY-5-(2-HYDRAZINOPYRIDINE)PHENYLALANINE	A,B	1SPU	0.75
PBO	1-PYRIDIN-3-YLBUTAN-1-ONE	A	1PYJ	0.73
1CM	(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE	A	2CI0	0.72
INO	2-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCL	0.74
INO	2-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCJ	0.74
NNR	Nicotinamide riboside	A	2QT0	0.72
NNR	Nicotinamide riboside	A	2QT1	0.72
PMC	3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1I43	0.71