MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00005446

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
INO	2-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCL	0.71
INO	2-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCJ	0.71
PY7	PYRIDIN-4-YLMETHANOL	A	2EUR	0.72
APY	2-AMINOMETHYL-PYRIDINE	A,B,I	1HIV	0.74
APY	2-AMINOMETHYL-PYRIDINE	I	1IVP	0.74
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	1YV5	0.75
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A,B	1RQJ	0.75
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	1YQ7	0.75
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	1YHL	0.75
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	2QIS	0.75
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A,B	2O1O	0.75
DTR	D-TRYPTOPHAN	A,B,C,D	2R3C	0.7
DTR	D-TRYPTOPHAN	A	1XY8	0.7
DTR	D-TRYPTOPHAN	A,B,C,H,K,L	2R5D	0.7
DTR	D-TRYPTOPHAN	A	2V7K	0.7
DTR	D-TRYPTOPHAN	A,D	1CZQ	0.7
DTR	D-TRYPTOPHAN	A	1DFY	0.7
DTR	D-TRYPTOPHAN	A	1XY5	0.7
DTR	D-TRYPTOPHAN	A	1NXN	0.7
DTR	D-TRYPTOPHAN	A	1TKF	0.7
DTR	D-TRYPTOPHAN	A	1YL9	0.7
DTR	D-TRYPTOPHAN	A	1XXZ	0.7
DTR	D-TRYPTOPHAN	A	1XY4	0.7
DTR	D-TRYPTOPHAN	A,D	2Q3I	0.7
DTR	D-TRYPTOPHAN	A	1QFB	0.7
DTR	D-TRYPTOPHAN	A	1DFZ	0.7
DTR	D-TRYPTOPHAN	A	1XY9	0.7
DTR	D-TRYPTOPHAN	A	1XY6	0.7
DTR	D-TRYPTOPHAN	A	2SOC	0.7
DTR	D-TRYPTOPHAN	A	2JUE	0.7
DTR	D-TRYPTOPHAN	A	1SOC	0.7
DTR	D-TRYPTOPHAN	A	1YL8	0.7
DTR	D-TRYPTOPHAN	A,B,C,D,E,F, G,H	1DDO	0.7
DTR	D-TRYPTOPHAN	A,B	2Q33	0.7
DTR	D-TRYPTOPHAN	A	1DG0	0.7
DTR	D-TRYPTOPHAN	A,B,C,H,K,L	2R5B	0.7
PYF	3-PYRIDINYLCARBINOL	A,B	1R16	0.74
PRR	3-(METHYL-PYRIDINIUM)ALANINE	H,I,J	7KME	0.79
PAA	(N-METHYLPYRIDYL)ACETIC ACID	I	1HBT	0.81
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B,C	2W2I	0.78
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A	2GKL	0.78
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2VD7	0.78
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2JIG	0.78
BP5	3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE	A	2PXH	0.79
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLN	0.85
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLO	0.85
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	0.73
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PC2	0.79
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B,C,D	1ARZ	0.79
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PE7	0.79
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PES	0.79
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B	1C3V	0.79
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B	1P9L	0.79
11P	[(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin- 7-yl(hydroxy)methylene]bis(phosphonic acid)	A	2RAH	0.7
PMC	3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1I43	0.77
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A	2OPM	0.7
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	3DYF	0.7
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	3DYG	0.7
NNO	6-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCK	0.72
NNO	6-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCM	0.72
IAC	1H-INDOL-3-YLACETIC ACID	B	2P1Q	0.72
IAC	1H-INDOL-3-YLACETIC ACID	A	2OYF	0.72
IAC	1H-INDOL-3-YLACETIC ACID	A,B	3FVU	0.72
IAC	1H-INDOL-3-YLACETIC ACID	B	2P1P	0.72
2S2	(2S)-2-(1H-indol-3-yl)hexanoic acid	B	3C6O	0.71
PYC	PYRROLE-2-CARBOXYLATE	A	1W62	0.71
PYC	PYRROLE-2-CARBOXYLATE	A,B	1L9D	0.71
PYC	PYRROLE-2-CARBOXYLATE	A,B	2CWH	0.71
PYC	PYRROLE-2-CARBOXYLATE	A,B	1W61	0.71
PYC	PYRROLE-2-CARBOXYLATE	A,B	1ELI	0.71
2S3	(2S)-2-(1H-indol-3-yl)pentanoic acid	B	3C6P	0.71
275	5-amino-1,2-dimethylpyridinium	X	2RBW	0.71
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2GYV	0.74
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2JF0	0.74
ITR	IMINO-TRYPTOPHAN	A,B,C,D,E,F, G,H	1DDO	0.71
PBO	1-PYRIDIN-3-YLBUTAN-1-ONE	A	1PYJ	0.72
M2C	(2S)-2-AMINO-4-(METHYLSULFANYL)- 1-PYRIDIN-2-YLBUTANE-1,1-DIOL	A	1QXY	0.73
286	2-ethenyl-1-methylpyridinium	X	2RC2	0.75
NIO	NICOTINIC ACID	A	1JHQ	0.79
NIO	NICOTINIC ACID	A	1L5L	0.79
NIO	NICOTINIC ACID	A	2F7F	0.79
NIO	NICOTINIC ACID	A	1L5K	0.79
NIO	NICOTINIC ACID	A	1JHY	0.79
NIO	NICOTINIC ACID	A,B	1FSL	0.79
NIO	NICOTINIC ACID	A	1L5M	0.79
NIO	NICOTINIC ACID	A	1LH6	0.79
NIO	NICOTINIC ACID	A	1JHO	0.79
NIO	NICOTINIC ACID	A	3CI8	0.79
NIO	NICOTINIC ACID	A,B,C,D	1ICU	0.79
NIO	NICOTINIC ACID	A,B,C,D,E,F, G,H	3HRD	0.79
NIO	NICOTINIC ACID	A	1JHA	0.79
NIO	NICOTINIC ACID	A	1JHV	0.79
NIO	NICOTINIC ACID	A	1L4N	0.79
NIO	NICOTINIC ACID	A	2LH6	0.79
NIO	NICOTINIC ACID	A	1D0V	0.79
NIO	NICOTINIC ACID	A,B,C,D	1ICV	0.79
NIO	NICOTINIC ACID	A,B	1ICR	0.79
NIO	NICOTINIC ACID	A	1JHR	0.79
IOP	INDOLYLPROPIONIC ACID	A,B	1AHF	0.72
IOP	INDOLYLPROPIONIC ACID	A	2OLI	0.72
IOP	INDOLYLPROPIONIC ACID	A,B	2AY5	0.72
NCA	NICOTINAMIDE	A,B	2E5D	0.71
NCA	NICOTINAMIDE	A,B,C,D	2Z77	0.71
NCA	NICOTINAMIDE	A,B	1DMA	0.71
NCA	NICOTINAMIDE	A,B	1ISM	0.71
NCA	NICOTINAMIDE	A,B	1YC5	0.71
NCA	NICOTINAMIDE	A	2ZB7	0.71
NCA	NICOTINAMIDE	A,B,C,D,E,F, G,H	1R15	0.71
NCA	NICOTINAMIDE	A,B	2QQG	0.71
NCA	NICOTINAMIDE	A	2OTV	0.71
NCA	NICOTINAMIDE	A	2QHF	0.71
NCA	NICOTINAMIDE	A,B,C,D	2C8A	0.71
NCA	NICOTINAMIDE	A,B	2HJH	0.71
NCA	NICOTINAMIDE	A	2A15	0.71
NCA	NICOTINAMIDE	A	2R6V	0.71
NCA	NICOTINAMIDE	A,B	1ISI	0.71
NCA	NICOTINAMIDE	A,D,E	2R9J	0.71
NCA	NICOTINAMIDE	A	2H4J	0.71
NCA	NICOTINAMIDE	A,B	2OD9	0.71
NCA	NICOTINAMIDE	A,B,C,D,E	1YC2	0.71
NCA	NICOTINAMIDE	A,B	3DZG	0.71
NCA	NICOTINAMIDE	A	1OJU	0.71
3MP	3-METHYLPYRIDINE	A	1EUB	0.71
3MP	3-METHYLPYRIDINE	A	1BM6	0.71
NTM	QUINOLINIC ACID	A	3C2O	0.78
NTM	QUINOLINIC ACID	A,B	1QAP	0.78
NTM	QUINOLINIC ACID	A,B,C,D,E,F	1QPQ	0.78
NTM	QUINOLINIC ACID	A,B,C	2B7N	0.78
ICO	1H-INDOLE-3-CARBOXYLIC ACID	L	2PIP	0.71
3HM	5-hydroxy-6-methylpyridine-3-carboxylic acid	A,B	3GMC	0.72
QND	QUINALDIC ACID	A,B	1IDA	0.7
3IB	3-INDOLEBUTYRIC ACID	A,B	2AY6	0.73
3IB	3-INDOLEBUTYRIC ACID	A,B,C,E	2GJ6	0.73
C08	difluoro(5-{2-[(5-octyl-1H-pyrrol- 2-yl-kappaN)methylidene]-2H-pyrrol- 5-yl-kappaN}pentanoato)boron	A,B	2ZK6	0.72
QUI	2-CARBOXYQUINOXALINE	A	1PFE	0.73
QUI	2-CARBOXYQUINOXALINE	A,B	2DA8	0.73
QUI	2-CARBOXYQUINOXALINE	A,C,E,G	2ADW	0.73
QUI	2-CARBOXYQUINOXALINE	A	1VS2	0.73
QUI	2-CARBOXYQUINOXALINE	A	1XVN	0.73
QUI	2-CARBOXYQUINOXALINE	A,B	185D	0.73
QUI	2-CARBOXYQUINOXALINE	A	1XVK	0.73
QUI	2-CARBOXYQUINOXALINE	A,C	1XVR	0.73
QUI	2-CARBOXYQUINOXALINE	A,B	3GO3	0.73
4PP		C,L	1XKA	0.73
4PP		A,B,C,D	1XKB	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
PYA	3-(1,10-PHENANTHROL-2-YL)-L-ALANINE	A	1HCW	0.72