MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03221386

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
PBO	1-PYRIDIN-3-YLBUTAN-1-ONE	A	1PYJ	0.79
MIL	MILRINONE	A,B	1TLM	0.77
11P	[(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin- 7-yl(hydroxy)methylene]bis(phosphonic acid)	A	2RAH	0.73
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
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
ISQ	ISOQUINOLINE	A	1GDK	0.71
PAA	(N-METHYLPYRIDYL)ACETIC ACID	I	1HBT	0.88
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHQ	0.74
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHP	0.74
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2GYU	0.74
K27	4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium	A,B	2WHR	0.77
LG4	5-METHYLPYRIDIN-2-AMINE	A	2EUP	0.7
NFL	2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID	A	1TD7	0.71
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLN	0.78
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLO	0.78
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
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PC2	0.71
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B,C,D	1ARZ	0.71
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PE7	0.71
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PES	0.71
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B	1C3V	0.71
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B	1P9L	0.71
3MP	3-METHYLPYRIDINE	A	1EUB	0.77
3MP	3-METHYLPYRIDINE	A	1BM6	0.77
PY2	3-(MERCAPTOMETHYLENE)PYRIDINE	A,B	1IDA	0.73
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
NCN	NICOTINATE MONONUCLEOTIDE	A,B	2QTN	0.72
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4F	0.72
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4L	0.72
NCN	NICOTINATE MONONUCLEOTIDE	A,B,C,D	1YUM	0.72
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4M	0.72
NCN	NICOTINATE MONONUCLEOTIDE	A,B,C,D,E,F	1QPN	0.72
NCN	NICOTINATE MONONUCLEOTIDE	A,B,C	2B7Q	0.72
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4K	0.72
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4G	0.72
NCN	NICOTINATE MONONUCLEOTIDE	A	1YTK	0.72
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4H	0.72
NCN	NICOTINATE MONONUCLEOTIDE	A	1L5O	0.72
D3E	N-cyclopropyl-N-(trans-4-pyridin- 3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro- 1-hydroxy-1-methylethyl]benzamide	A,B,C,D	3D3E	0.71
INO	2-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCL	0.82
INO	2-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCJ	0.82
PMC	3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1I43	0.78
GPI	(2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3- DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE	A	1F40	0.7
PRR	3-(METHYL-PYRIDINIUM)ALANINE	H,I,J	7KME	0.78
364	3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2- DIPHOSPHONOETHYL)PYRIDINIUM	A,B	2E94	0.7
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
QUI	2-CARBOXYQUINOXALINE	A	1PFE	0.7
QUI	2-CARBOXYQUINOXALINE	A,B	2DA8	0.7
QUI	2-CARBOXYQUINOXALINE	A,C,E,G	2ADW	0.7
QUI	2-CARBOXYQUINOXALINE	A	1VS2	0.7
QUI	2-CARBOXYQUINOXALINE	A	1XVN	0.7
QUI	2-CARBOXYQUINOXALINE	A,B	185D	0.7
QUI	2-CARBOXYQUINOXALINE	A	1XVK	0.7
QUI	2-CARBOXYQUINOXALINE	A,C	1XVR	0.7
QUI	2-CARBOXYQUINOXALINE	A,B	3GO3	0.7
MYT	METYRAPONE	A	1PHG	0.73
MYT	METYRAPONE	A	1W0G	0.73
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
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	0.73
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P2Y	0.73
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P7R	0.73
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D	2RFQ	0.7
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D,E,F	2GA4	0.7
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D,E,F	1R4P	0.7
793	3-{[(1R)-1-phenylethyl]amino}-4- (pyridin-4-ylamino)cyclobut-3-ene- 1,2-dione	A	3FPM	0.71
985	(2E)-3-{3-[6-(4-methyl-1,4-diazepan- 1-yl)pyrazin-2-yl]phenyl}prop-2- enoic acid	A	3F2A	0.71
BP5	3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE	A	2PXH	0.73
286	2-ethenyl-1-methylpyridinium	X	2RC2	0.72
PYF	3-PYRIDINYLCARBINOL	A,B	1R16	0.79
11X	N-(pyridin-3-ylmethyl)aniline	A	3EJ0	0.7
NTN	ISONICOTINAMIDINE	A	7ADH	0.74
PY7	PYRIDIN-4-YLMETHANOL	A	2EUR	0.83
OBI	1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME	A,B	2GYW	0.76
ZZA	1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID	A,B,D	2VCW	0.71
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
NTM	QUINOLINIC ACID	A	3C2O	0.77
NTM	QUINOLINIC ACID	A,B	1QAP	0.77
NTM	QUINOLINIC ACID	A,B,C,D,E,F	1QPQ	0.77
NTM	QUINOLINIC ACID	A,B,C	2B7N	0.77
HLO	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM	A,B	2JEY	0.74
HLO	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM	A,B	2JEZ	0.74
BVF	4-METHYLPYRIDIN-2-AMINE	A,B	3E67	0.72
BVF	4-METHYLPYRIDIN-2-AMINE	A	2EUT	0.72
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B,C	2W2I	0.8
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A	2GKL	0.8
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2VD7	0.8
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2JIG	0.8