MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02222995

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
8AP	N~3~-BENZYLPYRIDINE-2,3-DIAMINE	A	2OHM	0.7
286	2-ethenyl-1-methylpyridinium	X	2RC2	0.82
PY7	PYRIDIN-4-YLMETHANOL	A	2EUR	0.77
PYF	3-PYRIDINYLCARBINOL	A,B	1R16	0.74
3AP	3-AMINOPYRIDINE	A	1AEF	0.72
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D	2RFQ	0.79
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D,E,F	2GA4	0.79
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D,E,F	1R4P	0.79
AT2	ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE	A,B	3E7S	0.74
AT2	ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE	A,B	3E7M	0.74
AT2	ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE	A,B,C,D	3E7G	0.74
D4G		A,B,C,D	2FDY	0.75
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	0.82
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P2Y	0.82
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P7R	0.82
IM4	(2E)-1-[(6-chloropyridin-3-yl)methyl]- N-nitroimidazolidin-2-imine	A,C,D,E	2ZJU	0.7
IM4	(2E)-1-[(6-chloropyridin-3-yl)methyl]- N-nitroimidazolidin-2-imine	A,B,C,D	3C79	0.7
3MP	3-METHYLPYRIDINE	A	1EUB	0.84
3MP	3-METHYLPYRIDINE	A	1BM6	0.84
MIL	MILRINONE	A,B	1TLM	0.78
NIO	NICOTINIC ACID	A	1JHQ	0.73
NIO	NICOTINIC ACID	A	1L5L	0.73
NIO	NICOTINIC ACID	A	2F7F	0.73
NIO	NICOTINIC ACID	A	1L5K	0.73
NIO	NICOTINIC ACID	A	1JHY	0.73
NIO	NICOTINIC ACID	A,B	1FSL	0.73
NIO	NICOTINIC ACID	A	1L5M	0.73
NIO	NICOTINIC ACID	A	1LH6	0.73
NIO	NICOTINIC ACID	A	1JHO	0.73
NIO	NICOTINIC ACID	A	3CI8	0.73
NIO	NICOTINIC ACID	A,B,C,D	1ICU	0.73
NIO	NICOTINIC ACID	A,B,C,D,E,F, G,H	3HRD	0.73
NIO	NICOTINIC ACID	A	1JHA	0.73
NIO	NICOTINIC ACID	A	1JHV	0.73
NIO	NICOTINIC ACID	A	1L4N	0.73
NIO	NICOTINIC ACID	A	2LH6	0.73
NIO	NICOTINIC ACID	A	1D0V	0.73
NIO	NICOTINIC ACID	A,B,C,D	1ICV	0.73
NIO	NICOTINIC ACID	A,B	1ICR	0.73
NIO	NICOTINIC ACID	A	1JHR	0.73
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2GYV	0.8
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2JF0	0.8
11P	[(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin- 7-yl(hydroxy)methylene]bis(phosphonic acid)	A	2RAH	0.7
PRR	3-(METHYL-PYRIDINIUM)ALANINE	H,I,J	7KME	0.8
NTN	ISONICOTINAMIDINE	A	7ADH	0.82
LG4	5-METHYLPYRIDIN-2-AMINE	A	2EUP	0.77
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A	2OPM	0.77
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	3DYF	0.77
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	3DYG	0.77
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
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	2GNF	0.71
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	2H9V	0.71
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE	A,B	2ETR	0.71
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	2GNJ	0.71
Y27	(R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE	A	1Q8T	0.71
793	3-{[(1R)-1-phenylethyl]amino}-4- (pyridin-4-ylamino)cyclobut-3-ene- 1,2-dione	A	3FPM	0.72
PY2	3-(MERCAPTOMETHYLENE)PYRIDINE	A,B	1IDA	0.79
MYT	METYRAPONE	A	1PHG	0.74
MYT	METYRAPONE	A	1W0G	0.74
NA9	N-(CARBOXYMETHYL)-3-CYCLOHEXYL- D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN- 3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDE	H,P	2A2X	0.7
275	5-amino-1,2-dimethylpyridinium	X	2RBW	0.76
K27	4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium	A,B	2WHR	0.81
278	1-(1-methyl-1H-pyrrol-2-yl)methanamine	X	2RBV	0.73
ISQ	ISOQUINOLINE	A	1GDK	0.77
PF7	4-(quinolin-3-ylmethyl)piperidine- 1-carboxylic acid	A,B	2VYA	0.74
4AP	4-AMINOPYRIDINE	A	1AEG	0.72
NPM	N-[(1E)-PYRIDIN-2-YLMETHYLENE]- N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE	A,B	2ET0	0.73
PBO	1-PYRIDIN-3-YLBUTAN-1-ONE	A	1PYJ	0.78
PYS	2-PYRIDINETHIOL	A,B	1CTE	0.74
PYS	2-PYRIDINETHIOL	A	2IPP	0.74
MIB	(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT- 3-EN-2-ONE	A	1ZS5	0.72
SB9	HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDE	P	2AIE	0.73
CII	N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide	A	2W0A	0.7
DGB	N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE	A,B	2G97	0.72
DGB	N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE	A,B	2GVJ	0.72
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
PAA	(N-METHYLPYRIDYL)ACETIC ACID	I	1HBT	0.86
INO	2-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCL	0.72
INO	2-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCJ	0.72
BP5	3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE	A	2PXH	0.73
1SQ	ISOQUINOLIN-1-AMINE	A	2OHK	0.72
BVF	4-METHYLPYRIDIN-2-AMINE	A,B	3E67	0.78
BVF	4-METHYLPYRIDIN-2-AMINE	A	2EUT	0.78
OBI	1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME	A,B	2GYW	0.88
NCA	NICOTINAMIDE	A,B	2E5D	0.76
NCA	NICOTINAMIDE	A,B,C,D	2Z77	0.76
NCA	NICOTINAMIDE	A,B	1DMA	0.76
NCA	NICOTINAMIDE	A,B	1ISM	0.76
NCA	NICOTINAMIDE	A,B	1YC5	0.76
NCA	NICOTINAMIDE	A	2ZB7	0.76
NCA	NICOTINAMIDE	A,B,C,D,E,F, G,H	1R15	0.76
NCA	NICOTINAMIDE	A,B	2QQG	0.76
NCA	NICOTINAMIDE	A	2OTV	0.76
NCA	NICOTINAMIDE	A	2QHF	0.76
NCA	NICOTINAMIDE	A,B,C,D	2C8A	0.76
NCA	NICOTINAMIDE	A,B	2HJH	0.76
NCA	NICOTINAMIDE	A	2A15	0.76
NCA	NICOTINAMIDE	A	2R6V	0.76
NCA	NICOTINAMIDE	A,B	1ISI	0.76
NCA	NICOTINAMIDE	A,D,E	2R9J	0.76
NCA	NICOTINAMIDE	A	2H4J	0.76
NCA	NICOTINAMIDE	A,B	2OD9	0.76
NCA	NICOTINAMIDE	A,B,C,D,E	1YC2	0.76
NCA	NICOTINAMIDE	A,B	3DZG	0.76
NCA	NICOTINAMIDE	A	1OJU	0.76
U73	N-(5-ISOPROPYL-THIAZOL-2-YL)-2- PYRIDIN-3-YL-ACETAMIDE	A	2BTR	0.73
GPI	(2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3- DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE	A	1F40	0.73
5IQ	ISOQUINOLIN-5-AMINE	A,B	2F2T	0.74
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B,C,D	1W6F	0.79
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2V2E	0.79
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	X	2VCF	0.79
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCS	0.79
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCN	0.79
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B	1XR3	0.79
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHQ	0.79
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHP	0.79
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2GYU	0.79
364	3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2- DIPHOSPHONOETHYL)PYRIDINIUM	A,B	2E94	0.74
SPY	4-HYDROSULFONYLPYRIDINE	A,B	1IDB	0.74
APY	2-AMINOMETHYL-PYRIDINE	A,B,I	1HIV	0.76
APY	2-AMINOMETHYL-PYRIDINE	I	1IVP	0.76
11X	N-(pyridin-3-ylmethyl)aniline	A	3EJ0	0.77
1CM	(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE	A	2CI0	0.72