MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00605752

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Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
TFL	2-[4-(DIMETHYLAMINO)PHENYL]-6-HYDROXY- 3-METHYL-1,3-BENZOTHIAZOL-3-IUM	A	2J3Q	0.71
1HP	4-(2-amino-1-methyl-1H-imidazo[4,5- b]pyridin-6-yl)phenol	A,B	2QSE	0.71
9HP	9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINE	A	1PMU	0.75
SRO	SEROTONIN	A,B	3BRN	0.79
SRO	SEROTONIN	A	2QEH	0.79
ASE	N-ACETYL SEROTONIN	A	1NAS	0.76
PY7	PYRIDIN-4-YLMETHANOL	A	2EUR	0.7
PXM	4-(AMINOMETHYL)-5-(HYDROXYMETHYL)- 2-METHYLPYRIDIN-3-OL	A	1RFT	0.72
PXM	4-(AMINOMETHYL)-5-(HYDROXYMETHYL)- 2-METHYLPYRIDIN-3-OL	A,B	2Z9V	0.72
MSR	4-(1H-IMIDAZOL-1-YL)PHENOL	A	2ORQ	0.8
VAR	9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2- c]pyrimidin-4-ol	A,B,C,D	3BHV	0.7
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2GYV	0.71
HBP	1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME	A,B	2JF0	0.71
7NH	[2'-HYDROXY-3'-(1H-PYRROLO[3,2- C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]- UREA	H	2FLR	0.71
TRX	6-HYDROXYTRYPTOPHAN	A,B,C,I,J,L,M	1K83	0.71
TRX	6-HYDROXYTRYPTOPHAN	A,B,C,I,J,L, M,T	2VUM	0.71
TRX	6-HYDROXYTRYPTOPHAN	A,B,C,I,J,L,M	3CQZ	0.71
QNO	2-NONYL-4-HYDROXYQUINOLINE N-OXIDE	C,D,E	1NU1	0.72
QNO	2-NONYL-4-HYDROXYQUINOLINE N-OXIDE	A,B,C,D,G	2E75	0.72
HRP	5-HYDROXY-L-TRYPTOPHAN	B	1YIA	0.73
HQO	2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE	A,B,C	1KQG	0.72
HQO	2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE	A,B,C,D,E,F	2VR0	0.72
HQO	2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE	A,B,C,M,N,O,P	1KF6	0.72
CQA	4-[(7-CHLOROQUINOLIN-4-YL)AMINO]- 2-[(DIETHYLAMINO)METHYL]PHENOL	A,B	2AOU	0.71
278	1-(1-methyl-1H-pyrrol-2-yl)methanamine	X	2RBV	0.7
IOS	3-SULFOOXY-1H-INDOLE	A,B	2BXH	0.72
3ID	3H-INDOLE-5,6-DIOL	A	1F9B	0.75
3ID	3H-INDOLE-5,6-DIOL	A	1OYO	0.75
CK6	4-[4-(4-METHYL-2-METHYLAMINO-THIAZOL- 5-YL)-PYRIMIDIN-2-YLAMINO]-PHENOL	A	1PXN	0.7
M2C	(2S)-2-AMINO-4-(METHYLSULFANYL)- 1-PYRIDIN-2-YLBUTANE-1,1-DIOL	A	1QXY	0.72
39Z	5-HYDROXY-3-[(1R)-1-(1H-PYRROL- 2-YL)ETHYL]-2H-INDOL-2-ONE	A	2PE0	0.73
4HT	4-HYDROXYTRYPTOPHAN	H,L	1RU9	0.71
4HT	4-HYDROXYTRYPTOPHAN	H,L	1RUM	0.71
4HT	4-HYDROXYTRYPTOPHAN	H,L	1RUL	0.71
4HT	4-HYDROXYTRYPTOPHAN	H,L	1RUA	0.71
286	2-ethenyl-1-methylpyridinium	X	2RC2	0.7
EI1	3-ETHYL-2-(4-HYDROXYPHENYL)-2H- INDAZOL-5-OL	A,B	2QAB	0.71
PYU	2-(1H-pyrrol-1-ylcarbonyl)benzene- 1,3,5-triol	A,B	3EKO	0.72