MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02330820

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
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHQ	0.73
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2WHP	0.73
HI6	4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM	A,B	2GYU	0.73
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B,C	2W2I	0.86
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A	2GKL	0.86
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2VD7	0.86
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2JIG	0.86
PYC	PYRROLE-2-CARBOXYLATE	A	1W62	0.77
PYC	PYRROLE-2-CARBOXYLATE	A,B	1L9D	0.77
PYC	PYRROLE-2-CARBOXYLATE	A,B	2CWH	0.77
PYC	PYRROLE-2-CARBOXYLATE	A,B	1W61	0.77
PYC	PYRROLE-2-CARBOXYLATE	A,B	1ELI	0.77
PXG	3-[O-PHOSPHONOPYRIDOXYL]--AMINO- BENZOIC ACID	A	1B9I	0.7
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
TIT	N-((3S,4S)-5-[(4-BROMOBENZYL)OXY]- 3-HYDROXY-4-{[N-(PYRIDIN-2-YLCARBONYL)- L-VALYL]AMINO}PENTANOYL)-L-ALANYL- L-LEUCINAMIDE	A,B	1W6H	0.71
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
NIO	NICOTINIC ACID	A	1JHQ	0.78
NIO	NICOTINIC ACID	A	1L5L	0.78
NIO	NICOTINIC ACID	A	2F7F	0.78
NIO	NICOTINIC ACID	A	1L5K	0.78
NIO	NICOTINIC ACID	A	1JHY	0.78
NIO	NICOTINIC ACID	A,B	1FSL	0.78
NIO	NICOTINIC ACID	A	1L5M	0.78
NIO	NICOTINIC ACID	A	1LH6	0.78
NIO	NICOTINIC ACID	A	1JHO	0.78
NIO	NICOTINIC ACID	A	3CI8	0.78
NIO	NICOTINIC ACID	A,B,C,D	1ICU	0.78
NIO	NICOTINIC ACID	A,B,C,D,E,F, G,H	3HRD	0.78
NIO	NICOTINIC ACID	A	1JHA	0.78
NIO	NICOTINIC ACID	A	1JHV	0.78
NIO	NICOTINIC ACID	A	1L4N	0.78
NIO	NICOTINIC ACID	A	2LH6	0.78
NIO	NICOTINIC ACID	A	1D0V	0.78
NIO	NICOTINIC ACID	A,B,C,D	1ICV	0.78
NIO	NICOTINIC ACID	A,B	1ICR	0.78
NIO	NICOTINIC ACID	A	1JHR	0.78
PYF	3-PYRIDINYLCARBINOL	A,B	1R16	0.7
L92	(2S)-3-{4-[3-(5-METHYL-2-PHENYL- 1,3-OXAZOL-4-YL)PROPYL]PHENYL}- 2-(1H-PYRROL-1-YL)PROPANOIC ACID	A	2Q8S	0.74
PMC	3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1I43	0.86
D3E	N-cyclopropyl-N-(trans-4-pyridin- 3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro- 1-hydroxy-1-methylethyl]benzamide	A,B,C,D	3D3E	0.71
NA4	4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)- PYRIDIN-3-YL]-BENZOIC ACID	A,C	1RHM	0.7
PXL	3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE	A,B	3FHX	0.71
PXL	3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE	A,B	2DDW	0.71
PXL	3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE	A,B	2Z9W	0.71
PXL	3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE	A,B	2Z9X	0.71
PXL	3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE	A,B	1TD2	0.71
CBB	1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE- 2-CARBOXYLIC ACID 3-CARBAMIMIDOYL- BENZYLESTER	B	1LPK	0.7
2SM	methyl 2-{[(4-methylpyrimidin-2- yl)carbamoyl]sulfamoyl}benzoate	A	3EA4	0.7
D1G	N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE	A,B,C,D	2FDU	0.74
QUA	8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID	C	2JQ7	0.76
QUA	8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID	B	1OLN	0.76
QUA	8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID	A	1E9W	0.76
QUI	2-CARBOXYQUINOXALINE	A	1PFE	0.7
QUI	2-CARBOXYQUINOXALINE	A,B	2DA8	0.7
QUI	2-CARBOXYQUINOXALINE	A,C,E,G	2ADW	0.7
QUI	2-CARBOXYQUINOXALINE	A	1VS2	0.7
QUI	2-CARBOXYQUINOXALINE	A	1XVN	0.7
QUI	2-CARBOXYQUINOXALINE	A,B	185D	0.7
QUI	2-CARBOXYQUINOXALINE	A	1XVK	0.7
QUI	2-CARBOXYQUINOXALINE	A,C	1XVR	0.7
QUI	2-CARBOXYQUINOXALINE	A,B	3GO3	0.7
NTM	QUINOLINIC ACID	A	3C2O	0.84
NTM	QUINOLINIC ACID	A,B	1QAP	0.84
NTM	QUINOLINIC ACID	A,B,C,D,E,F	1QPQ	0.84
NTM	QUINOLINIC ACID	A,B,C	2B7N	0.84
D2G	N-METHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE	A,B,C,D	2FDV	0.73
3HM	5-hydroxy-6-methylpyridine-3-carboxylic acid	A,B	3GMC	0.75
BP5	3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE	A	2PXH	0.72
DPY		A,B	1JES	0.73
368	(1R)-2-{[AMINO(IMINO)METHYL]AMINO}- 1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE	A	1ZLR	0.71
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A,B	2QYN	0.7
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A,B	2QYK	0.7
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A	2QYL	0.7
NCN	NICOTINATE MONONUCLEOTIDE	A,B	2QTN	0.71
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4F	0.71
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4L	0.71
NCN	NICOTINATE MONONUCLEOTIDE	A,B,C,D	1YUM	0.71
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4M	0.71
NCN	NICOTINATE MONONUCLEOTIDE	A,B,C,D,E,F	1QPN	0.71
NCN	NICOTINATE MONONUCLEOTIDE	A,B,C	2B7Q	0.71
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4K	0.71
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4G	0.71
NCN	NICOTINATE MONONUCLEOTIDE	A	1YTK	0.71
NCN	NICOTINATE MONONUCLEOTIDE	A	1L4H	0.71
NCN	NICOTINATE MONONUCLEOTIDE	A	1L5O	0.71
HLO	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM	A,B	2JEY	0.73
HLO	1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM	A,B	2JEZ	0.73
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
PAA	(N-METHYLPYRIDYL)ACETIC ACID	I	1HBT	0.74
GPI	(2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3- DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE	A	1F40	0.73
PRR	3-(METHYL-PYRIDINIUM)ALANINE	H,I,J	7KME	0.73
D3G	(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE	A,B,C,D	2FDW	0.72
PBO	1-PYRIDIN-3-YLBUTAN-1-ONE	A	1PYJ	0.74
T19	PHENYLMETHYLENECARBOXY-(METHYLENEAMINO- FORMYL-DIPHENYLMETHYL)METHY-PRO- BOROVAL	H,I	1AIX	0.72
BI5	4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE	A	1ZYJ	0.71
QND	QUINALDIC ACID	A,B	1IDA	0.78
PYB	4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID	A,D,E,G,I,J	1S32	0.72
PYB	4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID	D,I,J	1M18	0.72
PYB	4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID	E,I,J	1M1A	0.72
PYB	4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID	E,I,J	1M19	0.72
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLN	0.87
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLO	0.87
896	N-ETHYL-N-ISOPROPYL-3-METHYL-5- {[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE	B,H	2UUJ	0.71
MYT	METYRAPONE	A	1PHG	0.7
MYT	METYRAPONE	A	1W0G	0.7