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GPCR

Name	Alpha-1A adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA1A
Synonym	alpha1a ADRA1C ADRA1L1 adrenergic alpha 1c receptor adrenergic receptor alpha 1c adrenergic receptor, alpha 1a alpha 1A-adrenoceptor alpha 1A-adrenoreceptor alpha1c alpha 1C-adrenergic receptor alpha-1A adrenergic receptor Alpha-1A adrenoceptor Alpha-1A adrenoreceptor Alpha-1C adrenergic receptor Alpha-adrenergic receptor 1c alpha1A-adrenoceptor [ Show all ]
Disease	Urinary incontinence Benign prostatic hyperplasia Cognitive disorders Female sexual dysfunction Glaucoma Hypertension Major depressive disorder Pain Post-traumatic stress disorder Prostate cancer; Benign prostatic hyperplasia Prostate disease Prostate hyperplasia Stress urinary incontinence Unspecified [ Show all ]
Length	466
Amino acid sequence	MVFLSGNASDSSNCTQPPAPVNISKAILLGVILGGLILFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEVLGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGLMALLCVWALSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYLPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNAPAGGSGMASAKTKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLCRKQSSKHALGYTLHPPSQAVEGQHKDMVRIPVGSRETFYRISKTDGVCEWKFFSSMPRGSARITVSKDQSSCTTARVRSKSFLQVCCCVGPSTPSLDKNHQVPTIKVHTISLSENGEEV
UniProt	P35348
Protein Data Bank	N/A
GPCR-HGmod model	P35348
3D structure model	This predicted structure model is from GPCR-EXP P35348.
BioLiP	N/A
Therapeutic Target Database	T92609
ChEMBL	CHEMBL229
IUPHAR	22
DrugBank	BE0000501

Ligand

Name	CHEBI:48565
Molecular formula	C21H26N2O3
IUPAC name	methyl 18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Molecular weight	354.45
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	2.9
Synonyms	LS-162739 Methyl 17-hydroxyyohimban-16-carboxylate (HCl) NCI60_001630 NSC93133 Yohimban-16-alpha-carboxylic acid, 17-beta-hydroxy-, methyl ester Yohimban-16alpha-carboxylic acid, 17beta-hydroxy-, methyl ester AC1L1ENB BDBM86230 Corynanthin MEGxp0_002061 MolPort-001-741-269 NSC 93133 SC-26067 Yohimban-16-carboxylic acid, methyl ester, (16.alpha.,17.beta.)- 1071758-83-2 AKOS005612952 BRD-A51410489-001-01-4 EINECS 208-977-7 Methyl 17-hydroxyyohimban-16-carboxylate NCGC00015878-06!methyl 18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate NSC19509 SMR000440723 Yohimban-16.alpha.-carboxylic acid, methyl ester 4CN-1339 AN-51049 HMS3372A16 MCULE-4993391700 MFCD00066744 NCI60_003875 NSC_2866 Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16-alpha,17-beta)- Yohimbol-16.alpha.-carboxylic acid, methyl ester .beta.-Yohimbine ACon1_000583 beta-Yohimbin COYNANTHINE Methyl (16alpha,17beta)-17-hydroxyyohimban-16-carboxylate NCGC00015878-03 NSC-407306 SC-35458 Yohimban-16-carboxylic acid, methyl ester, (16.beta.,17.alpha.)- 2-Hydroxy-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydro-indolo[2',3':3,4]pyrido[1,2-b]isoquinoline-1-carboxylic acid methyl ester Amsonin BRD-A51410489-003-02-8 HMS2269J09 Methyl 17-hydroxyyohimban-16-carboxylate # NCGC00015878-08 NSC407306 STK801336 Yohimban-16.beta.-carboxylic acid, methyl ester BBL008941 CHEMBL1531132 L000506 MEGxp0_001106 MLS000863574 NCI60_003876 Rauhimbin Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16alpha,17beta)- 1,2,3,4,4a,5,7,8,13,13b,14,14a-Dodecahydro-2-hydroxy-1-(methoxycarbonyl)benz[g]indolo[2,3-a]quinolizine ACon1_000625 BLGXFZZNTVWLAY-UHFFFAOYSA-N CTK6I8789 methyl 17-hydroxy-20xi-yohimban-16-carboxylate NCGC00015878-04 NSC-93133 SCHEMBL564022 Yohimban-16.alpha.-carboxylic acid, 17.alpha.-hydroxy-, methyl ester 4-METHOXY-BETA-OXO-BENZENEBUTANENITRILE Amsonine CAS_146-48-5 HMS3370N12 [ Show all ]
Inchi Key	BLGXFZZNTVWLAY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3
PubChem CID	2866
ChEMBL	N/A
IUPHAR	N/A
BindingDB	86230
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	199.52 nM	PMID10611634	PDSP
Ki	3162.28 nM	PMID12065700	PDSP

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