MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03626137

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
364	3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2- DIPHOSPHONOETHYL)PYRIDINIUM	A,B	2E94	0.71
MIL	MILRINONE	A,B	1TLM	0.72
DGB	N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE	A,B	2G97	0.71
DGB	N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE	A,B	2GVJ	0.71
NCN	NICOTINATE MONONUCLEOTIDE	A,B	2QTN	0.73
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4F	0.73
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4L	0.73
NCN	NICOTINATE MONONUCLEOTIDE	A,B,C,D	1YUM	0.73
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4M	0.73
NCN	NICOTINATE MONONUCLEOTIDE	A,B,C,D,E,F	1QPN	0.73
NCN	NICOTINATE MONONUCLEOTIDE	A,B,C	2B7Q	0.73
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4K	0.73
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4G	0.73
NCN	NICOTINATE MONONUCLEOTIDE	A	1YTK	0.73
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4H	0.73
NCN	NICOTINATE MONONUCLEOTIDE	A	1L5O	0.73
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHQ	0.73
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHP	0.73
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2GYU	0.73
NIO	NICOTINIC ACID	A	1JHQ	0.84
NIO	NICOTINIC ACID	A	1L5L	0.84
NIO	NICOTINIC ACID	A	2F7F	0.84
NIO	NICOTINIC ACID	A	1L5K	0.84
NIO	NICOTINIC ACID	A	1JHY	0.84
NIO	NICOTINIC ACID	A,B	1FSL	0.84
NIO	NICOTINIC ACID	A	1L5M	0.84
NIO	NICOTINIC ACID	A	1LH6	0.84
NIO	NICOTINIC ACID	A	1JHO	0.84
NIO	NICOTINIC ACID	A	3CI8	0.84
NIO	NICOTINIC ACID	A,B,C,D	1ICU	0.84
NIO	NICOTINIC ACID	A,B,C,D,E,F, G,H	3HRD	0.84
NIO	NICOTINIC ACID	A	1JHA	0.84
NIO	NICOTINIC ACID	A	1JHV	0.84
NIO	NICOTINIC ACID	A	1L4N	0.84
NIO	NICOTINIC ACID	A	2LH6	0.84
NIO	NICOTINIC ACID	A	1D0V	0.84
NIO	NICOTINIC ACID	A,B,C,D	1ICV	0.84
NIO	NICOTINIC ACID	A,B	1ICR	0.84
NIO	NICOTINIC ACID	A	1JHR	0.84
PY2	3-(MERCAPTOMETHYLENE)PYRIDINE	A,B	1IDA	0.72
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLN	0.75
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLO	0.75
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
PMC	3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1I43	0.75
11P	[(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin- 7-yl(hydroxy)methylene]bis(phosphonic acid)	A	2RAH	0.74
1CM	(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE	A	2CI0	0.71
BVF	4-METHYLPYRIDIN-2-AMINE	A,B	3E67	0.71
BVF	4-METHYLPYRIDIN-2-AMINE	A	2EUT	0.71
NFL	2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID	A	1TD7	0.71
NTM	QUINOLINIC ACID	A	3C2O	0.76
NTM	QUINOLINIC ACID	A,B	1QAP	0.76
NTM	QUINOLINIC ACID	A,B,C,D,E,F	1QPQ	0.76
NTM	QUINOLINIC ACID	A,B,C	2B7N	0.76
NNO	6-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCK	0.77
NNO	6-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCM	0.77
OBI	1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME	A,B	2GYW	0.77
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B,C	2W2I	0.75
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A	2GKL	0.75
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2VD7	0.75
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2JIG	0.75
2S2	(2S)-2-(1H-indol-3-yl)hexanoic acid	B	3C6O	0.71
IOP	INDOLYLPROPIONIC ACID	A,B	1AHF	0.71
IOP	INDOLYLPROPIONIC ACID	A	2OLI	0.71
IOP	INDOLYLPROPIONIC ACID	A,B	2AY5	0.71
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A	2OPM	0.72
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	3DYF	0.72
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	3DYG	0.72
2S3	(2S)-2-(1H-indol-3-yl)pentanoic acid	B	3C6P	0.71
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D	2RFQ	0.72
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D,E,F	2GA4	0.72
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D,E,F	1R4P	0.72
286	2-ethenyl-1-methylpyridinium	X	2RC2	0.74
K27	4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium	A,B	2WHR	0.76
PRR	3-(METHYL-PYRIDINIUM)ALANINE	H,I,J	7KME	0.86
LG2	6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8- TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE- 3-CARBOXYLIC ACID	A,B,C,D	1H9U	0.71
PAA	(N-METHYLPYRIDYL)ACETIC ACID	I	1HBT	1
BP5	3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE	A	2PXH	0.78
NNR	Nicotinamide riboside	A	2QT0	0.73
NNR	Nicotinamide riboside	A	2QT1	0.73
PY7	PYRIDIN-4-YLMETHANOL	A	2EUR	0.79
U73	N-(5-ISOPROPYL-THIAZOL-2-YL)-2- PYRIDIN-3-YL-ACETAMIDE	A	2BTR	0.7
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R, S,T	1UW6	0.74
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P2Y	0.74
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P7R	0.74
ISQ	ISOQUINOLINE	A	1GDK	0.7
PBO	1-PYRIDIN-3-YLBUTAN-1-ONE	A	1PYJ	0.78
HLO	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM	A,B	2JEY	0.72
HLO	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM	A,B	2JEZ	0.72
INO	2-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCL	0.77
INO	2-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCJ	0.77
MYT	METYRAPONE	A	1PHG	0.72
MYT	METYRAPONE	A	1W0G	0.72
GPI	(2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3- DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE	A	1F40	0.75
PYF	3-PYRIDINYLCARBINOL	A,B	1R16	0.79
4PP		C,L	1XKA	0.74
4PP		A,B,C,D	1XKB	0.74
IAC	1H-INDOL-3-YLACETIC ACID	B	2P1Q	0.71
IAC	1H-INDOL-3-YLACETIC ACID	A	2OYF	0.71
IAC	1H-INDOL-3-YLACETIC ACID	A,B	3FVU	0.71
IAC	1H-INDOL-3-YLACETIC ACID	B	2P1P	0.71
3MP	3-METHYLPYRIDINE	A	1EUB	0.76
3MP	3-METHYLPYRIDINE	A	1BM6	0.76
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	1YV5	0.79
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A,B	1RQJ	0.79
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	1YQ7	0.79
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	1YHL	0.79
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	2QIS	0.79
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A,B	2O1O	0.79
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2GYV	0.7
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2JF0	0.7
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B,C,D	1W6F	0.76
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2V2E	0.76
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	X	2VCF	0.76
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCS	0.76
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCN	0.76
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B	1XR3	0.76
NTN	ISONICOTINAMIDINE	A	7ADH	0.73
PBG	3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)- 1H-PYRROL-3-YL]PROPANOIC ACID	A,B	1E51	0.72
PBG	3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)- 1H-PYRROL-3-YL]PROPANOIC ACID	A	1OHL	0.72