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GPCR

Name	Alpha-1B adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA1B
Synonym	alpha1B-adrenoceptor alpha1B-adrenergic receptor Alpha-1B adrenoreceptor Alpha-1B adrenoceptor alpha 1B-adrenoreceptor alpha 1B-adrenoceptor adrenergic receptor adrenergic alpha 1B receptor [ Show all ]
Disease	Psychiatric disorder Hypertension Exogenous obesity Attention deficit hyperactivity disorder
Length	520
Amino acid sequence	MNPDLDTGHNTSAPAHWGELKNANFTGPNQTSSNSTLPQLDITRAISVGLVLGAFILFAIVGNILVILSVACNRHLRTPTNYFIVNLAMADLLLSFTVLPFSAALEVLGYWVLGRIFCDIWAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGPLLGWKEPAPNDDKECGVTEEPFYALFSSLGSFYIPLAVILVMYCRVYIVAKRTTKNLEAGVMKEMSNSKELTLRIHSKNFHEDTLSSTKAKGHNPRSSIAVKLFKFSREKKAAKTLGIVVGMFILCWLPFFIALPLGSLFSTLKPPDAVFKVVFWLGYFNSCLNPIIYPCSSKEFKRAFVRILGCQCRGRGRRRRRRRRRLGGCAYTYRPWTRGGSLERSQSRKDSLDDSGSCLSGSQRTLPSASPSPGYLGRGAPPPVELCAFPEWKAPGALLSLPAPEPPGRRGRHDSGPLFTFKLLTEPESPGTDGGASNGGCEAAADVANGQPGFKSNMPLAPGQF
UniProt	P35368
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	T29500
ChEMBL	CHEMBL232
IUPHAR	23
DrugBank	BE0000575

Ligand

Name	corynanthine
Molecular formula	C21H26N2O3
IUPAC name	methyl (1S,15R,18S,19S,20S)-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	BPBio1_000436 MEGxp0_001869 NCGC00015878-02 Rauhimbine Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16beta,17alpha)- (9CI) AC1L3OSP CCG-208620 F5Z7C9RK8U methyl (3S,4S,4aS,5aS,14aR)-3-hydroxy-1,2,3,4,5,11,14,14a,4a,5a-decahydrobenzo [3,2-g]indolo[2,3-a]quinolizine-4-carboxylate Prestwick0_000578 SMR000857089 17\|A-Hydroxyyohimban-16\|A-carboxylic acid methyl ester BDBM50027058 Bio1_001450 CHEMBL31410 Lopac-R-104 MLS001332620 Prestwick3_000578 UNII-F5Z7C9RK8U BRD-K06467078-003-03-7 D00GEE Methyl (16beta,17alpha)-17-hydroxyyohimban-16-carboxylate NCGC00016294-06 SCHEMBL178061 Yohimban-16beta-carboxylic acid, 17alpha-hydroxy-, methyl ester (8CI) (1S,2S,4aR,13bS,14aS)-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 ACon1_002064 CHEBI:92122 GTPL5345 methyl hydroxy[?]carboxylate Prestwick1_000578 SPBio_002615 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 Bio1_000472 BLGXFZZNTVWLAY-DKJBZYCGSA-N Corynanthin Lopac-Y-3125 NCGC00015878-01 Rauhimbin Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16beta,17alpha)- 6613AF BSPBio_000396 EINECS 207-590-0 methyl (1S,15R,18S,19S,20S)-18-hydroxy-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4,6,8-tetraene-19-carboxylate NSC 407306 SMP1_000080 ZINC3861548 (1S,2S,4aR,13bS,14aS)-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 AKOS024282584 Bio1_000961 HMS2231N15 MLS001332619 Prestwick2_000578 ST057156 483-10-3 [ Show all ]
Inchi Key	BLGXFZZNTVWLAY-DKJBZYCGSA-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/t12-,15-,17-,18-,19-/m0/s1
PubChem CID	92766
ChEMBL	CHEMBL31410
IUPHAR	N/A
BindingDB	50027058
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	517.0 nM	PMID7562902	BindingDB,ChEMBL

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