5K7K

Design and Optimization of Biaryl Ether Aryl Sulfonamides as Selective Inhibitors of NaV1.7: Discovery of Clinical Candidate PF-05089771

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004497	molecular_function	monooxygenase activity
A	0005506	molecular_function	iron ion binding
A	0005737	cellular_component	cytoplasm
A	0005783	cellular_component	endoplasmic reticulum
A	0005789	cellular_component	endoplasmic reticulum membrane
A	0005886	cellular_component	plasma membrane
A	0006805	biological_process	xenobiotic metabolic process
A	0008202	biological_process	steroid metabolic process
A	0008203	biological_process	cholesterol metabolic process
A	0008210	biological_process	estrogen metabolic process
A	0008392	molecular_function	arachidonic acid epoxygenase activity
A	0008395	molecular_function	steroid hydroxylase activity
A	0008404	molecular_function	arachidonic acid 14,15-epoxygenase activity
A	0008405	molecular_function	arachidonic acid 11,12-epoxygenase activity
A	0016020	cellular_component	membrane
A	0016098	biological_process	monoterpenoid metabolic process
A	0016491	molecular_function	oxidoreductase activity
A	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
A	0016712	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen
A	0018675	molecular_function	(S)-limonene 6-monooxygenase activity
A	0018676	molecular_function	(S)-limonene 7-monooxygenase activity
A	0019369	biological_process	arachidonic acid metabolic process
A	0019373	biological_process	epoxygenase P450 pathway
A	0019627	biological_process	urea metabolic process
A	0020037	molecular_function	heme binding
A	0032787	biological_process	monocarboxylic acid metabolic process
A	0034875	molecular_function	caffeine oxidase activity
A	0042178	biological_process	xenobiotic catabolic process
A	0042759	biological_process	long-chain fatty acid biosynthetic process
A	0043231	cellular_component	intracellular membrane-bounded organelle
A	0043603	biological_process	amide metabolic process
A	0046456	biological_process	icosanoid biosynthetic process
A	0046872	molecular_function	metal ion binding
A	0052741	molecular_function	(R)-limonene 6-monooxygenase activity
A	0070330	molecular_function	aromatase activity
A	0070989	biological_process	oxidative demethylation
A	0097267	biological_process	omega-hydroxylase P450 pathway

Functional Information from PDB Data

site_id	AC1
Number of Residues	22
Details	binding site for residue HEM A 501

Chain	Residue
A	ARG97
A	LEU362
A	SER365
A	HIS368
A	PRO427
A	PHE428
A	SER429
A	ARG433
A	CYS435
A	VAL436
A	GLY437
A	ILE112
A	ALA441
A	6RJ502
A	HOH603
A	TRP120
A	ALA297
A	GLY298
A	THR301
A	THR302
A	THR305
A	LEU361

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site_id	AC2
Number of Residues	13
Details	binding site for residue 6RJ A 502

Chain	Residue
A	ARG108
A	PHE114
A	LEU201
A	ILE205
A	LEU208
A	MET240
A	VAL292
A	GLY296
A	ALA297
A	THR301
A	SER365
A	LEU366
A	HEM501

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Functional Information from PROSITE/UniProt

site_id	PS00086
Number of Residues	10
Details	CYTOCHROME_P450 Cytochrome P450 cysteine heme-iron ligand signature. FSaGKRICVG

Chain	Residue	Details
A	PHE428-GLY437

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	BINDING: axial binding residue

Chain	Residue	Details
A	CYS435

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