MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02900547

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
AGE	(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)- 1H-pyrrol-2-yl]prop-2-enamide	A,B,C	3F07	0.71
PY7	PYRIDIN-4-YLMETHANOL	A	2EUR	0.72
K27	4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium	A,B	2WHR	0.78
DGB	N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE	A,B	2G97	0.76
DGB	N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE	A,B	2GVJ	0.76
MYT	METYRAPONE	A	1PHG	0.83
MYT	METYRAPONE	A	1W0G	0.83
8ST	N-(4-chlorophenyl)-2-[(pyridin- 4-ylmethyl)amino]benzamide	A	3HNG	0.71
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B,C,D	1W6F	0.85
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2V2E	0.85
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	X	2VCF	0.85
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCS	0.85
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A	2VCN	0.85
ISZ	4-(DIAZENYLCARBONYL)PYRIDINE	A,B	1XR3	0.85
NCA	NICOTINAMIDE	A,B	2E5D	0.92
NCA	NICOTINAMIDE	A,B,C,D	2Z77	0.92
NCA	NICOTINAMIDE	A,B	1DMA	0.92
NCA	NICOTINAMIDE	A,B	1ISM	0.92
NCA	NICOTINAMIDE	A,B	1YC5	0.92
NCA	NICOTINAMIDE	A	2ZB7	0.92
NCA	NICOTINAMIDE	A,B,C,D,E,F, G,H	1R15	0.92
NCA	NICOTINAMIDE	A,B	2QQG	0.92
NCA	NICOTINAMIDE	A	2OTV	0.92
NCA	NICOTINAMIDE	A	2QHF	0.92
NCA	NICOTINAMIDE	A,B,C,D	2C8A	0.92
NCA	NICOTINAMIDE	A,B	2HJH	0.92
NCA	NICOTINAMIDE	A	2A15	0.92
NCA	NICOTINAMIDE	A	2R6V	0.92
NCA	NICOTINAMIDE	A,B	1ISI	0.92
NCA	NICOTINAMIDE	A,D,E	2R9J	0.92
NCA	NICOTINAMIDE	A	2H4J	0.92
NCA	NICOTINAMIDE	A,B	2OD9	0.92
NCA	NICOTINAMIDE	A,B,C,D,E	1YC2	0.92
NCA	NICOTINAMIDE	A,B	3DZG	0.92
NCA	NICOTINAMIDE	A	1OJU	0.92
NTN	ISONICOTINAMIDINE	A	7ADH	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
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B,C	2W2I	0.7
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A	2GKL	0.7
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2VD7	0.7
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2JIG	0.7
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHQ	0.74
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHP	0.74
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2GYU	0.74
C53	2-IMINO-5-(1-PYRIDIN-2-YL-METH- (E)-YLIDENE)-1,3-THIAZOLIDIN-4- ONE	A	2V0D	0.72
793	3-{[(1R)-1-phenylethyl]amino}-4- (pyridin-4-ylamino)cyclobut-3-ene- 1,2-dione	A	3FPM	0.7
PM2	1-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN- 3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE	A,B,C,D	2BM2	0.74
MIL	MILRINONE	A,B	1TLM	0.74
PYF	3-PYRIDINYLCARBINOL	A,B	1R16	0.72
NVP	11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE	A	1S1X	0.71
NVP	11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE	A	1LWE	0.71
NVP	11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE	A	1LW0	0.71
NVP	11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE	A	2HND	0.71
NVP	11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE	A	1FKP	0.71
NVP	11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE	A	1S1U	0.71
NVP	11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE	A	1LWF	0.71
NVP	11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE	A	2HNY	0.71
NVP	11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE	A	1VRT	0.71
NVP	11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE	A	1LWC	0.71
NVP	11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE	A	1JLB	0.71
NVP	11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE	A	3HVT	0.71
NVP	11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE	A	1JLF	0.71
PY2	3-(MERCAPTOMETHYLENE)PYRIDINE	A,B	1IDA	0.84
IHZ	5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine- 3-carboxamide	A	3DKO	0.71
D4G		A,B,C,D	2FDY	0.72
LG4	5-METHYLPYRIDIN-2-AMINE	A	2EUP	0.72
PBO	1-PYRIDIN-3-YLBUTAN-1-ONE	A	1PYJ	0.9
NIO	NICOTINIC ACID	A	1JHQ	0.83
NIO	NICOTINIC ACID	A	1L5L	0.83
NIO	NICOTINIC ACID	A	2F7F	0.83
NIO	NICOTINIC ACID	A	1L5K	0.83
NIO	NICOTINIC ACID	A	1JHY	0.83
NIO	NICOTINIC ACID	A,B	1FSL	0.83
NIO	NICOTINIC ACID	A	1L5M	0.83
NIO	NICOTINIC ACID	A	1LH6	0.83
NIO	NICOTINIC ACID	A	1JHO	0.83
NIO	NICOTINIC ACID	A	3CI8	0.83
NIO	NICOTINIC ACID	A,B,C,D	1ICU	0.83
NIO	NICOTINIC ACID	A,B,C,D,E,F, G,H	3HRD	0.83
NIO	NICOTINIC ACID	A	1JHA	0.83
NIO	NICOTINIC ACID	A	1JHV	0.83
NIO	NICOTINIC ACID	A	1L4N	0.83
NIO	NICOTINIC ACID	A	2LH6	0.83
NIO	NICOTINIC ACID	A	1D0V	0.83
NIO	NICOTINIC ACID	A,B,C,D	1ICV	0.83
NIO	NICOTINIC ACID	A,B	1ICR	0.83
NIO	NICOTINIC ACID	A	1JHR	0.83
NTM	QUINOLINIC ACID	A	3C2O	0.73
NTM	QUINOLINIC ACID	A,B	1QAP	0.73
NTM	QUINOLINIC ACID	A,B,C,D,E,F	1QPQ	0.73
NTM	QUINOLINIC ACID	A,B,C	2B7N	0.73
BRT	5-BROMONICOTINAMIDE	A,B	1GXZ	0.83
3MP	3-METHYLPYRIDINE	A	1EUB	0.82
3MP	3-METHYLPYRIDINE	A	1BM6	0.82
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	0.73
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P2Y	0.73
NCT	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	A	1P7R	0.73
1CM	(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE	A	2CI0	0.7
SPY	4-HYDROSULFONYLPYRIDINE	A,B	1IDB	0.75
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	1YV5	0.71
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A,B	1RQJ	0.71
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	1YQ7	0.71
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	1YHL	0.71
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A	2QIS	0.71
RIS	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID	A,B	2O1O	0.71
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D	2RFQ	0.74
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D,E,F	2GA4	0.74
1PS	3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE	A,B,C,D,E,F	1R4P	0.74
BVF	4-METHYLPYRIDIN-2-AMINE	A,B	3E67	0.7
BVF	4-METHYLPYRIDIN-2-AMINE	A	2EUT	0.7
286	2-ethenyl-1-methylpyridinium	X	2RC2	0.72
OBI	1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME	A,B	2GYW	0.71
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLN	0.71
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLO	0.71
PYS	2-PYRIDINETHIOL	A,B	1CTE	0.77
PYS	2-PYRIDINETHIOL	A	2IPP	0.77
U73	N-(5-ISOPROPYL-THIAZOL-2-YL)-2- PYRIDIN-3-YL-ACETAMIDE	A	2BTR	0.74
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
ISQ	ISOQUINOLINE	A	1GDK	0.73
11X	N-(pyridin-3-ylmethyl)aniline	A	3EJ0	0.72
APY	2-AMINOMETHYL-PYRIDINE	A,B,I	1HIV	0.71
APY	2-AMINOMETHYL-PYRIDINE	I	1IVP	0.71
PAA	(N-METHYLPYRIDYL)ACETIC ACID	I	1HBT	0.75
NNR	Nicotinamide riboside	A	2QT0	0.72
NNR	Nicotinamide riboside	A	2QT1	0.72