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GLASS

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GPCR

Name	Alpha-2A adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA2A
Synonym	alpha2D alpha2A-AR alpha2A-adrenoceptor alpha2A-adrenergic receptor alpha2A Alpha-2AAR Adra-2 Adra-2a ADRA2 ADRA2R Adrenergic alpha 2A receptor adrenergic receptor Alpha-2 adrenergic receptor subtype C10 Alpha-2A adrenoceptor Alpha-2A adrenoreceptor [ Show all ]
Disease	Attention deficit hyperactivity disorder Sexual dysfunction Pain
Length	450
Amino acid sequence	MGSLQPDAGNASWNGTEAPGGGARATPYSLQVTLTLVCLAGLLMLLTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKAWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIITVWVISAVISFPPLISIEKKGGGGGPQPAEPRCEINDQKWYVISSCIGSFFAPCLIMILVYVRIYQIAKRRTRVPPSRRGPDAVAAPPGGTERRPNGLGPERSAGPGGAEAEPLPTQLNGAPGEPAPAGPRDTDALDLEESSSSDHAERPPGPRRPERGPRGKGKARASQVKPGDSLPRRGPGATGIGTPAAGPGEERVGAAKASRWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLTAVGCSVPRTLFKFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV
UniProt	P08913
Protein Data Bank	N/A
GPCR-HGmod model	P08913
3D structure model	This predicted structure model is from GPCR-EXP P08913.
BioLiP	N/A
Therapeutic Target Database	T11448
ChEMBL	CHEMBL1867
IUPHAR	25
DrugBank	BE0000289

Ligand

Name	ICODEXTRIN
Molecular formula	C8H8Cl2N4
IUPAC name	2-[(2,6-dichlorophenyl)methylideneamino]guanidine
Molecular weight	231.08
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	1.7
Synonyms	DB-051784 FT-0635524 KBio2_006459 NCGC00024846-08 Spectrum4_000567 AKOS017264577 DSSTox_CID_25666 Hydrazinecarboximidamide, 2-[(2,6-dichlorophenyl)methylene]-, (E)- KBioSS_001323 Prestwick1_000096 SR-01000721838-5 CTK4H1147 DTXSID6045666 KBio2_001323 N-(2,6-dichlorobenzylidene)-N'-amidino hydrazine Spectrum2_001114 WDZVGELJXXEGPV-UHFFFAOYSA-N 2-[(2,6-dichlorophenyl)methylideneamino]guanidine DB00629 HMS2233D12 KBio3_001310 NINDS_000010 Spectrum_000843 CAS-5051-62-7 DSSTox_GSID_45666 MCULE-4615358259 SPBio_001248 Tox21_110932 1-(2,6-Dichlorobenzylideneamino)guanidine D02YCH Extraneal KBio2_003891 NCGC00024846-03 Spectrum3_000445 ZINC242701441 5051-62-7 AC1L1G45 DivK1c_000010 HMS3370A17 KBioGR_000974 Prestwick0_000096 SR-01000721838 CHEMBL1313657 DSSTox_RID_81042 KBio1_000010 MRF-0000008 SPBio_001991 Tox21_110932_1 2,6-dichlorobenzaldehyde guanylhydrazone [ Show all ]
Inchi Key	WDZVGELJXXEGPV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C8H8Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)
PubChem CID	3517
ChEMBL	N/A
IUPHAR	N/A
BindingDB	81979, 96725
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	21.8776 nM	PMID9605427	PDSP
Ki	21.88 nM	PMID9605427	BindingDB

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