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GPCR

Name	Alpha-2B adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA2B
Synonym	alpha2-C2 alpha2B alpha2B-adrenoceptor Alpha-2BAR alpha-2B adrenoreceptor Alpha-2B adrenoceptor alpha-2B adrenergic receptor Alpha-2 adrenergic receptor subtype C2 adrenergic receptor Adrenergic alpha2B- receptor class III ADRA2RL1 ADRA2L1 Adra-2b [ Show all ]
Disease	Neuropathic pain Alcohol use disorders
Length	450
Amino acid sequence	MDHQDPYSVQATAAIAAAITFLILFTIFGNALVILAVLTSRSLRAPQNLFLVSLAAADILVATLIIPFSLANELLGYWYFRRTWCEVYLALDVLFCTSSIVHLCAISLDRYWAVSRALEYNSKRTPRRIKCIILTVWLIAAVISLPPLIYKGDQGPQPRGRPQCKLNQEAWYILASSIGSFFAPCLIMILVYLRIYLIAKRSNRRGPRAKGGPGQGESKQPRPDHGGALASAKLPALASVASAREVNGHSKSTGEKEEGETPEDTGTRALPPSWAALPNSGQGQKEGVCGASPEDEAEEEEEEEEEEEECEPQAVPVSPASACSPPLQQPQGSRVLATLRGQVLLGRGVGAIGGQWWRRRAQLTREKRFTFVLAVVIGVFVLCWFPFFFSYSLGAICPKHCKVPHGLFQFFFWIGYCNSSLNPVIYTIFNQDFRRAFRRILCRPWTQTAW
UniProt	P18089
Protein Data Bank	N/A
GPCR-HGmod model	P18089
3D structure model	This predicted structure model is from GPCR-EXP P18089.
BioLiP	N/A
Therapeutic Target Database	T41580
ChEMBL	CHEMBL1942
IUPHAR	26
DrugBank	BE0000572

Ligand

Name	.delta.-Yohimbine
Molecular formula	C21H24N2O3
IUPAC name	methyl 16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate
Molecular weight	352.434
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	2.7
Synonyms	Alkaloid C CCG-103005 Hydrosarpan Methyl 19-methyl-16,17-didehydrooxayohimban-16-carboxylate NSC-72133 Ranitol SR-01000625463 Vinceine AC1L5K45 Alstonine,4,5,6-tetrahydro- D01JGV L001109 MLS002540766 NSC72133 Raubasin STK367072 (-)-Ajmalicin AKOS000730693 BBL005709 HMS1607K01 methyl 1-methyl-5,11,14,14a,4a,5a-hexahydro-1H-indolo[2,3-a]pyrano[3,4-g]quino lizine-4-carboxylate NCI60_041515 Oxayohimban-16-carboxylic acid,17-didehydro-19-methyl-, methyl ester, (19.alpha.)- SCHEMBL309915 Vincain 6474-90-4 Alkaloid F CHEMBL1604074 I06-0408 Methyl 19-methyl-16,17-didehydrooxayohimban-16-carboxylate # NSC-95087 Raubaserp SR-01000625463-4 VU0002262-1 AC1Q5YMQ Alstonine,4,5,6-tetrahydro-, (3.alpha.)- GRTOGORTSDXSFK-UHFFFAOYSA-N Lamuran MolPort-001-918-389 NSC95087 Raumalina Substance II (-)-Tetrahydroalstonine AKOS021983176 BDBM30993 HMS2271A14 methyl 19-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate NSC-72115 Oxayohimban-16-carboxylic acid,17-didehydro-19-methyl-, methyl ester, (19.alpha.,20.alpha.)- SMR000107477 Vincein 16,17-Didehydro-19.alpha.-methyloxayohimban-16-carboxylic acid methyl ester 876659-81-3 Alkaloid II cid_251561 Isoarteril MLS000111555 NSC72115 Raubasil ST50219455 WLN: T F6 D5 C666 EM ON SO TU&&TTTJ R1 UVO1 ACN-056788 BAS 00225301 H3160 MCULE-3271406637 NCI60_041492 Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, methyl ester, (19.alpha.)- Rauvasan Tensyl [ Show all ]
Inchi Key	GRTOGORTSDXSFK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3
PubChem CID	251561
ChEMBL	N/A
IUPHAR	N/A
BindingDB	30993
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	14.5 nM	PMID1353247	PDSP,BindingDB

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