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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	terguride
Molecular formula	C20H28N4O
IUPAC name	3-[(6aR,9S,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea
Molecular weight	340.471
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	2.5
Synonyms	85649-11-2 BDBM50017519 D01348 FT-0667042 N,N-Dethyl-n'-[(8alpha)-6-methylergoln-8-yl]urea Prestwick1_000945 SCHEMBL147259 Tergurida trans-Dihydro Lisuride 21OJT43Q88 ZK-31224 9,10\|A-Dihydrolisuride BSPBio_000834 DSSTox_CID_25809 HMS2232H10 N,N-Diethyl-N'-[(8\|A)-6-methylergolin-8-yl]urea S(+)-N,N-Diethyl-N inverted exclamation marka([8\|A]-6-methylergolin-8-yl)urea SPBio_003069 Terguride (JAN/INN) (5R,8S,10R)-Terguride UNII-21OJT43Q88 37686-85-4 (maleate[1:1]) 6-Methyl-8alpha-(diethylcarbamoylamino)ergoline AJ-45674 DTXSID3045809 KS-1464 Opera_ID_1172 S(+)-Terguride Teluron (TN) Terguridum [Latin] 1,1-Diethyl-3-(7-methyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinolin-9-yl)-urea ZINC3811327 8alpha-(3,3-diethylureido)-6-methylergoline BPBio1_000918 D01ZOB GTPL56 N,N-Diethyl-N'-(D-6-methyl-10alpha-isoergolin-8-yl)urea Prestwick2_000945 SH-406 Tergurida [Spanish] (+)-(5R,8S,10R)-Terguride trans-Dihydrolisuride 3-[(6aR,9S,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]-1,1-diethylurea AB00514698 CAS-37686-84-3 DSSTox_GSID_45809 J-523241 NCGC00094476-03 S(+)-N,N-Diethyl-N'([8alpha]-6-methylergolin-8-yl)urea TDHL Terguride [INN] 1,1-diethyl-3-(6-methyl-8alpha-ergolinyl)urea Urea, N,N-diethyl-N'-((8-alpha)-6-methylergolin-8-yl)- 6-Methyl-8\|A-(diethylcarbamoylamino)ergoline API0004355 CHEMBL73151 EINECS 253-624-2 MLS000069833 Prestwick0_000945 S(+)-Terguride (5R, 8S, 10R) Tergurid Tox21_111283 1-((5R,8S,10R)-6-Methyl-8-ergolinyl)-3,3-diethylurea ZK 31224 9,10-alpha-Dihydrolisuride BRN 0766582 Dironyl HMS1570N12 N,N-Diethyl-N'-(D-6-methyl-10\|A-isoergolin-8-yl)urea Prestwick3_000927 SMR000058934 (+)-Terguride Transdihydrolisuride 37686-84-3 AC1L9FGP CHEBI:32193 DSSTox_RID_81146 JOAHPSVPXZTVEP-YXJHDRRASA-N NCGC00179409-02 s(+)-N,N-Diethyl-n([8alpha]-6-methylergolin-8-yl)urea Teluron Terguridum 1,1-Diethyl-3-(6-methylergolin-8alpha-yl)urea VUFB-6638 [ Show all ]
Inchi Key	JOAHPSVPXZTVEP-YXJHDRRASA-N
Inchi ID	InChI=1S/C20H28N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,11,14,16,18,21H,4-5,9-10,12H2,1-3H3,(H,22,25)/t14-,16+,18+/m0/s1
PubChem CID	443951
ChEMBL	CHEMBL73151
IUPHAR	56
BindingDB	50017519
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	0.398107 nM	PMID12388666	IUPHAR
Ki	0.45 nM	PMID12388666	BindingDB

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