MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00020599

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
3IP	3-(BENZYLOXY)PYRIDIN-2-AMINE	A	1W7H	0.74
H1L	(2S)-2-(4-{[3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDIN- 2-YL]OXY}PHENOXY)PROPANOIC ACID	A,B,C	1UYS	0.71
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
PY2	3-(MERCAPTOMETHYLENE)PYRIDINE	A,B	1IDA	0.72
NTN	ISONICOTINAMIDINE	A	7ADH	0.71
PY7	PYRIDIN-4-YLMETHANOL	A	2EUR	0.78
H86	3-(decyloxy)-5-(3,5-difluorophenyl)- 1-(2,2-diphosphonoethyl)pyridinium	A,B	2Z78	0.71
PC0	1-[2-(4-ETHOXY-3-FLUOROPYRIDIN- 2-YL)ETHYL]-3-(5-METHYLPYRIDIN- 2-YL)THIOUREA	A	2HNZ	0.7
NNO	6-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCK	0.7
NNO	6-HYDROXYISONICOTINIC ACID N-OXIDE	M,N,O,P,Q,R	3PCM	0.7
3MP	3-METHYLPYRIDINE	A	1EUB	0.77
3MP	3-METHYLPYRIDINE	A	1BM6	0.77
D1G	N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE	A,B,C,D	2FDU	0.71
D3G	(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE	A,B,C,D	2FDW	0.71
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	1YV5	0.72
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A,B	1RQJ	0.72
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	1YQ7	0.72
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	1YHL	0.72
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	2QIS	0.72
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A,B	2O1O	0.72
PIX	4-(3-{[5-(trifluoromethyl)pyridin- 2-yl]oxy}benzyl)piperidine-1-carboxylic acid	A,B	2WAP	0.76
282	3-methoxypyridine	X	2RBZ	0.85
B71	3-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	2ZEU	0.72
B71	3-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	2ZEV	0.72
722	1-(2,2-diphosphonoethyl)-3-(heptyloxy)pyridinium	A,B	3EGT	0.73
PAA	(N-METHYLPYRIDYL)ACETIC ACID	I	1HBT	0.7
714	1-(2,2-diphosphonoethyl)-3-(octyloxy)pyridinium	A,B	3EFQ	0.72
721	3-butoxy-1-(2,2-diphosphonoethyl)pyridinium	A,B	3DYH	0.74
NIO	NICOTINIC ACID	A	1JHQ	0.71
NIO	NICOTINIC ACID	A	1L5L	0.71
NIO	NICOTINIC ACID	A	2F7F	0.71
NIO	NICOTINIC ACID	A	1L5K	0.71
NIO	NICOTINIC ACID	A	1JHY	0.71
NIO	NICOTINIC ACID	A,B	1FSL	0.71
NIO	NICOTINIC ACID	A	1L5M	0.71
NIO	NICOTINIC ACID	A	1LH6	0.71
NIO	NICOTINIC ACID	A	1JHO	0.71
NIO	NICOTINIC ACID	A	3CI8	0.71
NIO	NICOTINIC ACID	A,B,C,D	1ICU	0.71
NIO	NICOTINIC ACID	A,B,C,D,E,F, G,H	3HRD	0.71
NIO	NICOTINIC ACID	A	1JHA	0.71
NIO	NICOTINIC ACID	A	1JHV	0.71
NIO	NICOTINIC ACID	A	1L4N	0.71
NIO	NICOTINIC ACID	A	2LH6	0.71
NIO	NICOTINIC ACID	A	1D0V	0.71
NIO	NICOTINIC ACID	A,B,C,D	1ICV	0.71
NIO	NICOTINIC ACID	A,B	1ICR	0.71
NIO	NICOTINIC ACID	A	1JHR	0.71
KIN	1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3- [3-(TRIFLUOROMETHYL)PHENYL]UREA	A	2HZN	0.73
PYF	3-PYRIDINYLCARBINOL	A,B	1R16	0.81