MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00046296

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
ESP	THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE	B	1C5Y	0.71
ESP	THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE	A	1C5U	0.71
ESP	THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE	A	1C5T	0.71
MIL	MILRINONE	A,B	1TLM	0.72
PYF	3-PYRIDINYLCARBINOL	A,B	1R16	0.74
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	1YV5	0.73
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A,B	1RQJ	0.73
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	1YQ7	0.73
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	1YHL	0.73
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	2QIS	0.73
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A,B	2O1O	0.73
HLO	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM	A,B	2JEY	0.71
HLO	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM	A,B	2JEZ	0.71
NCA	NICOTINAMIDE	A,B	2E5D	0.73
NCA	NICOTINAMIDE	A,B,C,D	2Z77	0.73
NCA	NICOTINAMIDE	A,B	1DMA	0.73
NCA	NICOTINAMIDE	A,B	1ISM	0.73
NCA	NICOTINAMIDE	A,B	1YC5	0.73
NCA	NICOTINAMIDE	A	2ZB7	0.73
NCA	NICOTINAMIDE	A,B,C,D,E,F, G,H	1R15	0.73
NCA	NICOTINAMIDE	A,B	2QQG	0.73
NCA	NICOTINAMIDE	A	2OTV	0.73
NCA	NICOTINAMIDE	A	2QHF	0.73
NCA	NICOTINAMIDE	A,B,C,D	2C8A	0.73
NCA	NICOTINAMIDE	A,B	2HJH	0.73
NCA	NICOTINAMIDE	A	2A15	0.73
NCA	NICOTINAMIDE	A	2R6V	0.73
NCA	NICOTINAMIDE	A,B	1ISI	0.73
NCA	NICOTINAMIDE	A,D,E	2R9J	0.73
NCA	NICOTINAMIDE	A	2H4J	0.73
NCA	NICOTINAMIDE	A,B	2OD9	0.73
NCA	NICOTINAMIDE	A,B,C,D,E	1YC2	0.73
NCA	NICOTINAMIDE	A,B	3DZG	0.73
NCA	NICOTINAMIDE	A	1OJU	0.73
U73	N-(5-ISOPROPYL-THIAZOL-2-YL)-2- PYRIDIN-3-YL-ACETAMIDE	A	2BTR	0.76
CM9	CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)- 1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE	A	2W09	0.71
D4G		A,B,C,D	2FDY	0.74
LG4	5-METHYLPYRIDIN-2-AMINE	A	2EUP	0.74
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B,C,D	1W6F	0.73
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2V2E	0.73
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	X	2VCF	0.73
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCS	0.73
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCN	0.73
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B	1XR3	0.73
OBI	1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME	A,B	2GYW	0.78
NIO	NICOTINIC ACID	A	1JHQ	0.72
NIO	NICOTINIC ACID	A	1L5L	0.72
NIO	NICOTINIC ACID	A	2F7F	0.72
NIO	NICOTINIC ACID	A	1L5K	0.72
NIO	NICOTINIC ACID	A	1JHY	0.72
NIO	NICOTINIC ACID	A,B	1FSL	0.72
NIO	NICOTINIC ACID	A	1L5M	0.72
NIO	NICOTINIC ACID	A	1LH6	0.72
NIO	NICOTINIC ACID	A	1JHO	0.72
NIO	NICOTINIC ACID	A	3CI8	0.72
NIO	NICOTINIC ACID	A,B,C,D	1ICU	0.72
NIO	NICOTINIC ACID	A,B,C,D,E,F, G,H	3HRD	0.72
NIO	NICOTINIC ACID	A	1JHA	0.72
NIO	NICOTINIC ACID	A	1JHV	0.72
NIO	NICOTINIC ACID	A	1L4N	0.72
NIO	NICOTINIC ACID	A	2LH6	0.72
NIO	NICOTINIC ACID	A	1D0V	0.72
NIO	NICOTINIC ACID	A,B,C,D	1ICV	0.72
NIO	NICOTINIC ACID	A,B	1ICR	0.72
NIO	NICOTINIC ACID	A	1JHR	0.72
PY2	3-(MERCAPTOMETHYLENE)PYRIDINE	A,B	1IDA	0.84
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	0.76
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P2Y	0.76
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P7R	0.76
PY7	PYRIDIN-4-YLMETHANOL	A	2EUR	0.73
M2C	(2S)-2-AMINO-4-(METHYLSULFANYL)- 1-PYRIDIN-2-YLBUTANE-1,1-DIOL	A	1QXY	0.71
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D	2RFQ	0.8
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D,E,F	2GA4	0.8
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D,E,F	1R4P	0.8
CMW	3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin- 4-ylcarbamate	A	2W0B	0.71
GPI	(2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3- DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE	A	1F40	0.7
C53	2-IMINO-5-(1-PYRIDIN-2-YL-METH- (E)-YLIDENE)-1,3-THIAZOLIDIN-4- ONE	A	2V0D	0.71
TH4	{(2Z)-3-[(6-chloropyridin-3-yl)methyl]- 1,3-thiazolidin-2-ylidene}cyanamide	A,B,C,D,E	3C84	0.74
K27	4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium	A,B	2WHR	0.71
PYS	2-PYRIDINETHIOL	A,B	1CTE	0.75
PYS	2-PYRIDINETHIOL	A	2IPP	0.75
3MP	3-METHYLPYRIDINE	A	1EUB	0.82
3MP	3-METHYLPYRIDINE	A	1BM6	0.82
11X	N-(pyridin-3-ylmethyl)aniline	A	3EJ0	0.74
PAA	(N-METHYLPYRIDYL)ACETIC ACID	I	1HBT	0.78
286	2-ethenyl-1-methylpyridinium	X	2RC2	0.75
SPY	4-HYDROSULFONYLPYRIDINE	A,B	1IDB	0.75
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A	2OPM	0.71
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	3DYF	0.71
NI9	3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM	A,B	3DYG	0.71
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHQ	0.71
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHP	0.71
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2GYU	0.71
PRR	3-(METHYL-PYRIDINIUM)ALANINE	H,I,J	7KME	0.73
ISQ	ISOQUINOLINE	A	1GDK	0.74
NTN	ISONICOTINAMIDINE	A	7ADH	0.75
PBO	1-PYRIDIN-3-YLBUTAN-1-ONE	A	1PYJ	0.75
BVF	4-METHYLPYRIDIN-2-AMINE	A,B	3E67	0.72
BVF	4-METHYLPYRIDIN-2-AMINE	A	2EUT	0.72
APY	2-AMINOMETHYL-PYRIDINE	A,B,I	1HIV	0.71
APY	2-AMINOMETHYL-PYRIDINE	I	1IVP	0.71