MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00048769

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
PMC	3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1I43	0.74
PYF	3-PYRIDINYLCARBINOL	A,B	1R16	0.74
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
MIL	MILRINONE	A,B	1TLM	0.7
NCN	NICOTINATE MONONUCLEOTIDE	A,B	2QTN	0.7
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4F	0.7
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4L	0.7
NCN	NICOTINATE MONONUCLEOTIDE	A,B,C,D	1YUM	0.7
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4M	0.7
NCN	NICOTINATE MONONUCLEOTIDE	A,B,C,D,E,F	1QPN	0.7
NCN	NICOTINATE MONONUCLEOTIDE	A,B,C	2B7Q	0.7
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4K	0.7
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4G	0.7
NCN	NICOTINATE MONONUCLEOTIDE	A	1YTK	0.7
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4H	0.7
NCN	NICOTINATE MONONUCLEOTIDE	A	1L5O	0.7
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	1YV5	0.7
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A,B	1RQJ	0.7
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	1YQ7	0.7
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	1YHL	0.7
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	2QIS	0.7
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A,B	2O1O	0.7
OBI	1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME	A,B	2GYW	0.72
NNO	6-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCK	0.78
NNO	6-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCM	0.78
3MP	3-METHYLPYRIDINE	A	1EUB	0.72
3MP	3-METHYLPYRIDINE	A	1BM6	0.72
MYT	METYRAPONE	A	1PHG	0.71
MYT	METYRAPONE	A	1W0G	0.71
K27	4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium	A,B	2WHR	0.76
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B,C	2W2I	0.79
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A	2GKL	0.79
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2VD7	0.79
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2JIG	0.79
PY7	PYRIDIN-4-YLMETHANOL	A	2EUR	0.79
NIO	NICOTINIC ACID	A	1JHQ	0.82
NIO	NICOTINIC ACID	A	1L5L	0.82
NIO	NICOTINIC ACID	A	2F7F	0.82
NIO	NICOTINIC ACID	A	1L5K	0.82
NIO	NICOTINIC ACID	A	1JHY	0.82
NIO	NICOTINIC ACID	A,B	1FSL	0.82
NIO	NICOTINIC ACID	A	1L5M	0.82
NIO	NICOTINIC ACID	A	1LH6	0.82
NIO	NICOTINIC ACID	A	1JHO	0.82
NIO	NICOTINIC ACID	A	3CI8	0.82
NIO	NICOTINIC ACID	A,B,C,D	1ICU	0.82
NIO	NICOTINIC ACID	A,B,C,D,E,F, G,H	3HRD	0.82
NIO	NICOTINIC ACID	A	1JHA	0.82
NIO	NICOTINIC ACID	A	1JHV	0.82
NIO	NICOTINIC ACID	A	1L4N	0.82
NIO	NICOTINIC ACID	A	2LH6	0.82
NIO	NICOTINIC ACID	A	1D0V	0.82
NIO	NICOTINIC ACID	A,B,C,D	1ICV	0.82
NIO	NICOTINIC ACID	A,B	1ICR	0.82
NIO	NICOTINIC ACID	A	1JHR	0.82
NTM	QUINOLINIC ACID	A	3C2O	0.74
NTM	QUINOLINIC ACID	A,B	1QAP	0.74
NTM	QUINOLINIC ACID	A,B,C,D,E,F	1QPQ	0.74
NTM	QUINOLINIC ACID	A,B,C	2B7N	0.74
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B,C,D	1W6F	0.8
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2V2E	0.8
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	X	2VCF	0.8
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCS	0.8
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCN	0.8
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B	1XR3	0.8
PAA	(N-METHYLPYRIDYL)ACETIC ACID	I	1HBT	0.78
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
HLO	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM	A,B	2JEY	0.75
HLO	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM	A,B	2JEZ	0.75
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLN	0.76
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLO	0.76
PBO	1-PYRIDIN-3-YLBUTAN-1-ONE	A	1PYJ	0.75
INO	2-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCL	0.84
INO	2-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCJ	0.84
282	3-methoxypyridine	X	2RBZ	0.72