MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03385406

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
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHQ	0.75
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHP	0.75
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2GYU	0.75
C53	2-IMINO-5-(1-PYRIDIN-2-YL-METH- (E)-YLIDENE)-1,3-THIAZOLIDIN-4- ONE	A	2V0D	0.7
PMC	3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1I43	0.74
NTN	ISONICOTINAMIDINE	A	7ADH	0.79
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
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B,C	2W2I	0.77
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A	2GKL	0.77
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2VD7	0.77
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2JIG	0.77
INO	2-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCL	0.79
INO	2-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCJ	0.79
PY2	3-(MERCAPTOMETHYLENE)PYRIDINE	A,B	1IDA	0.78
4AP	4-AMINOPYRIDINE	A	1AEG	0.71
ISQ	ISOQUINOLINE	A	1GDK	0.76
NNO	6-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCK	0.75
NNO	6-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCM	0.75
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A	2OPM	0.74
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	3DYF	0.74
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	3DYG	0.74
MIL	MILRINONE	A,B	1TLM	0.78
K27	4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium	A,B	2WHR	0.77
APY	2-AMINOMETHYL-PYRIDINE	A,B,I	1HIV	0.72
APY	2-AMINOMETHYL-PYRIDINE	I	1IVP	0.72
PY7	PYRIDIN-4-YLMETHANOL	A	2EUR	0.84
PAA	(N-METHYLPYRIDYL)ACETIC ACID	I	1HBT	0.83
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLN	0.77
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLO	0.77
D4G		A,B,C,D	2FDY	0.72
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2GYV	0.71
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2JF0	0.71
LG4	5-METHYLPYRIDIN-2-AMINE	A	2EUP	0.72
NCA	NICOTINAMIDE	A,B	2E5D	0.77
NCA	NICOTINAMIDE	A,B,C,D	2Z77	0.77
NCA	NICOTINAMIDE	A,B	1DMA	0.77
NCA	NICOTINAMIDE	A,B	1ISM	0.77
NCA	NICOTINAMIDE	A,B	1YC5	0.77
NCA	NICOTINAMIDE	A	2ZB7	0.77
NCA	NICOTINAMIDE	A,B,C,D,E,F, G,H	1R15	0.77
NCA	NICOTINAMIDE	A,B	2QQG	0.77
NCA	NICOTINAMIDE	A	2OTV	0.77
NCA	NICOTINAMIDE	A	2QHF	0.77
NCA	NICOTINAMIDE	A,B,C,D	2C8A	0.77
NCA	NICOTINAMIDE	A,B	2HJH	0.77
NCA	NICOTINAMIDE	A	2A15	0.77
NCA	NICOTINAMIDE	A	2R6V	0.77
NCA	NICOTINAMIDE	A,B	1ISI	0.77
NCA	NICOTINAMIDE	A,D,E	2R9J	0.77
NCA	NICOTINAMIDE	A	2H4J	0.77
NCA	NICOTINAMIDE	A,B	2OD9	0.77
NCA	NICOTINAMIDE	A,B,C,D,E	1YC2	0.77
NCA	NICOTINAMIDE	A,B	3DZG	0.77
NCA	NICOTINAMIDE	A	1OJU	0.77
11P	[(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin- 7-yl(hydroxy)methylene]bis(phosphonic acid)	A	2RAH	0.72
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	1YV5	0.77
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A,B	1RQJ	0.77
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	1YQ7	0.77
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	1YHL	0.77
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	2QIS	0.77
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A,B	2O1O	0.77
985	(2E)-3-{3-[6-(4-methyl-1,4-diazepan- 1-yl)pyrazin-2-yl]phenyl}prop-2- enoic acid	A	3F2A	0.72
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B,C,D	1W6F	0.82
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2V2E	0.82
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	X	2VCF	0.82
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCS	0.82
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCN	0.82
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B	1XR3	0.82
286	2-ethenyl-1-methylpyridinium	X	2RC2	0.74
PYS	2-PYRIDINETHIOL	A,B	1CTE	0.73
PYS	2-PYRIDINETHIOL	A	2IPP	0.73
QUI	2-CARBOXYQUINOXALINE	A	1PFE	0.72
QUI	2-CARBOXYQUINOXALINE	A,B	2DA8	0.72
QUI	2-CARBOXYQUINOXALINE	A,C,E,G	2ADW	0.72
QUI	2-CARBOXYQUINOXALINE	A	1VS2	0.72
QUI	2-CARBOXYQUINOXALINE	A	1XVN	0.72
QUI	2-CARBOXYQUINOXALINE	A,B	185D	0.72
QUI	2-CARBOXYQUINOXALINE	A	1XVK	0.72
QUI	2-CARBOXYQUINOXALINE	A,C	1XVR	0.72
QUI	2-CARBOXYQUINOXALINE	A,B	3GO3	0.72
11X	N-(pyridin-3-ylmethyl)aniline	A	3EJ0	0.73
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
5IQ	ISOQUINOLIN-5-AMINE	A,B	2F2T	0.7
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
PBO	1-PYRIDIN-3-YLBUTAN-1-ONE	A	1PYJ	0.78
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	0.75
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P2Y	0.75
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P7R	0.75
MYT	METYRAPONE	A	1PHG	0.73
MYT	METYRAPONE	A	1W0G	0.73
BP5	3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE	A	2PXH	0.72
BVF	4-METHYLPYRIDIN-2-AMINE	A,B	3E67	0.74
BVF	4-METHYLPYRIDIN-2-AMINE	A	2EUT	0.74
364	3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2- DIPHOSPHONOETHYL)PYRIDINIUM	A,B	2E94	0.72
PYF	3-PYRIDINYLCARBINOL	A,B	1R16	0.8
793	3-{[(1R)-1-phenylethyl]amino}-4- (pyridin-4-ylamino)cyclobut-3-ene- 1,2-dione	A	3FPM	0.71
PRR	3-(METHYL-PYRIDINIUM)ALANINE	H,I,J	7KME	0.75
3MP	3-METHYLPYRIDINE	A	1EUB	0.81
3MP	3-METHYLPYRIDINE	A	1BM6	0.81
PF7	4-(quinolin-3-ylmethyl)piperidine- 1-carboxylic acid	A,B	2VYA	0.72
ZZA	1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID	A,B,D	2VCW	0.71
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D	2RFQ	0.73
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D,E,F	2GA4	0.73
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D,E,F	1R4P	0.73
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
SPY	4-HYDROSULFONYLPYRIDINE	A,B	1IDB	0.74
OBI	1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME	A,B	2GYW	0.79