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GPCR

Name	Alpha-1A adrenergic receptor
Species	Rattus norvegicus (Rat)
Gene	Adra1a
Synonym	alpha1c alpha1A-adrenoceptor alpha1a Alpha-1C adrenergic receptor Alpha-1A adrenoreceptor Alpha-1A adrenoceptor alpha-1A adrenergic receptor ADRA1C alpha 1C-adrenergic receptor alpha 1A-adrenoreceptor alpha 1A-adrenoceptor adrenergic receptor, alpha 1a adrenergic receptor alpha 1c adrenergic alpha 1c receptor ADRA1L1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	466
Amino acid sequence	MVLLSENASEGSNCTHPPAPVNISKAILLGVILGGLIIFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEILGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGVRALLCVWVLSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYVPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNVPAEGGGVSSAKNKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLRRRQSSKHALGYTLHPPSQALEGQHRDMVRIPVGSGETFYKISKTDGVCEWKFFSSMPQGSARITVPKDQSACTTARVRSKSFLQVCCCVGSSAPRPEENHQVPTIKIHTISLGENGEEV
UniProt	P43140
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL319
IUPHAR	22
DrugBank	N/A

Ligand

Name	Desvenlafaxine
Molecular formula	C16H25NO2
IUPAC name	4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol
Molecular weight	263.381
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	2.6
Synonyms	O-DESMETHYLVENLAFAXINE (ODV) PDSP2_001787 1-[2-dimethylamino-1-(4-hydroxyphenyl)ethyl]cyclohexanol SMR004701214 413D628 ACMC-20ek0k CAS_386750-22-7 D0O3FG DS-1282 I06-2078 MLS006010042 O-Desmethylvenlafaxine solution, 100 mug/mL in methanol, ampule of 1 mL, certified reference material S-2830 4-[2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol TR-029259 93413-62-8 AT-19352 CHEMBL1118 Desvenlafaxine (INN) FT-0654519 Khedezla NSC_6918664 ODV 1-[1-(4-hydroxyphenyl)-2-dimethylaminoethyl]cyclohexanol SC-82264 4-[2-Dimethyamino-1-(1-hydroxycyclohexyl)ethyl]phenol Wy-45233 AB01563022_01 BDBM86748 d,l-O-Desmethylvenlafaxine Desvenlafaxine, 97% HSDB 7993 KYYIDSXMWOZKMP-UHFFFAOYSA-N O-desmethyl-venlafaxine O-Desmethylvenlafaxine 0.1 mg/ml in Methanol Phenol, 4-(2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)- 4-(2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)phenol ST2410953 4CH-007182 AK-72949 CHEBI:83527 DB06700 DVS 233 J10126 MolPort-003-846-411 O-Desmethylvenlafaxine, analytical standard (RS)-1-[2-(dimethylamino)-1-(4-hydroxyphenyl)ethyl]cyclohexanol s4113 4-[2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol # WY 45,233 A844583 AX8123273 CS-2818 Desvenlafaxine [INN:BAN] GTPL7158 Khedezla (TN) O-desmethyl venlafaxine O-Desmethylvenlafaxine PDSP1_001804 1-[2-(dimethylamino)-1-(4-hydroxyphenyl)ethyl]cyclohexanol SCHEMBL34864 4-[2-dimethylamino-1-(1-hydroxycyclohexyl)ethyl]phenol X4688 AC1L2NUV BR-72949 D07793 dl-o-desmethylvenlafaxin HY-B0602 LS-178212 O-Desmethylvenlafaxine solution, 1.0 mg/mL in methanol, certified reference material Phenol, 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]- 4-[1-(1-hydroxycyclohexyl)-2-(dimethylamino)ethyl]phenol SW219514-2 AKOS015896311 EC 700-516-2 KB-33580 NCGC00345883-04 O-Desvenlafaxine (S)-Desmethyl Venlafaxine D6 SB17444 4-[2-(dimethylamino)-1-(1-oxidanylcyclohexyl)ethyl]phenol WY-45,233 AB0031560 BCP28517 CTK8E8385 desvenlafaxine(o-desnethylvenfaxine) HMS3652K16 KS-00000FZO o-desmethyl venlafaxine-d10 [ Show all ]
Inchi Key	KYYIDSXMWOZKMP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
PubChem CID	125017
ChEMBL	CHEMBL1118
IUPHAR	N/A
BindingDB	86748
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	60.0 nM	PMID1976813	BindingDB,ChEMBL

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