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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	nortriptyline
Molecular formula	C19H21N
IUPAC name	N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine
Molecular weight	263.384
Hydrogen bond acceptor	1
Hydrogen bond donor	1
XlogP	4.5
Synonyms	IDI1_000151 10,11-Dihydro-5-(3-methylaminopropylidene)-5H-dibenzo[a,d][1,4]cycloheptene KSC-315-028- 3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N-methylpropylamine methyl({3-[(2E)-tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene]propyl})amine 5H-Dibenzo[a,d]cycloheptene-.DELTA.5,.gamma.-propylamine, 10,11-dihydro-N-methyl- NCGC00014483-05 Allegron (TN) NCGC00024261-03 Aventyl NCIStruc2_000700 BPBio1_000076 Nortriptilina CCRIS 9175 Nortriptylinum Demethylamitriptylene NSC757234 DTXSID9023384 Psychostyl Sensoval (TN) Spectrum5_001377 (2)10,11-Dihydro-N-methyl-5H-dibenzo[a,d]cycloheptene-.delta.5.gamma.-propylamine KBio2_004089 10,11-dihydro-N-methyl-5H-dibenzo[a,d]cycloheptene-Delta(5,gamma)-propylamine Lopac-N-7261 5-(3-(Methylamino)propylidene)dibenzo(a,e)cyclohepta(1,5)diene N-Methyl-3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yliden)propylamin AB00052061_16 NCGC00014483-08 AN-22230 NCGC00024261-06 AVENTYL HCL Noritren BSPBio_000068 Nortriptylin hydrochloride CHEMBL445 Nortryptyline Desitriptilina Pamelor (TN) GTPL2404 SBI-0050843.P004 SPBio_002287 UNII-BL03SY4LXB PHVGLTMQBUFIQQ-UHFFFAOYSA-N HMS500H13 1-Propanamine, 3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N-methyl- KBioGR_000870 3-(10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-N-methylpropylamine Lumbeck 5-[3-(Methylamino)propylidene]dibenzo[a,E]cyclohepta[1,5]diene NCGC00014483-03 AKOS022507396 NCGC00014483-11 Ateben hydrochloride NCIOpen2_004361 BIDD:PXR0187 Nortrilen CAS-894-71-3 Nortriptyline (INN) NSC-757234 Desmethylamitriptyline Sensival Spectrum3_000526 ZINC1530741 Prestwick2_000254 KBio1_000151 10,11-Dihydro-N-methyl-5H-dibenzo(a,d)cycloheptane-.DELTA.,.gamma.-propylamine KUC112478N 3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N-methylpropan-1-amine methyl({3-[(2E)-tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-2-ylidene]propyl})amine 72-69-5 NCGC00014483-06 Altilev NCGC00024261-04 Aventyl (TN) NINDS_000151 BRD-K91263825-003-03-2 Nortriptilina [DCIT] CHEBI:7640 Nortriptylinum [INN-Latin] Demethylamitriptyline NSC78248 EINECS 200-788-8 Psychostyl (Salt/Mix) Sesaval Spectrum_001041 PDSP2_001788 HMS1920B20 KBio2_006657 Lopac0_000868 5-(3-Methylaminopropylidene)-10,11-dihydro-5H-dibenzo(a,d)cycloheptene NCGC00014483 AC1L1IED NCGC00014483-09 API0003635 NCI169453 Aventyl hydrochloride Norpress (TN) BSPBio_002111 nortriptylina D04WFD Norzepine Desitriptyline Pamelor hydrochloride SCHEMBL34527 SPECTRUM1500442 US8629135, SW-02 Prestwick0_000254 HSDB 3371 10,11-Dihydro-5-(3-methylaminopropylidene)-5H-dibenzo(a,d)(1,4)cycloheptene KBioSS_001521 3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N-methyl-1-propanamine methyl({3-[(2E)-tricyclo[9.4.0.0;{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene]propyl})amine 5H-Dibenzo(a,d)cycloheptene-delta(sup 5),gamma-propylamine, 10,11-dihydro-N-methyl- NCGC00014483-04 Allegron NCGC00014483-12 Avantyl NCIStruc1_000856 BL03SY4LXB Nortrilen (TN) CCG-38266 Nortriptyline [INN:BAN] DB00540 NSC169453 DivK1c_000151 Sensival Ventyl Spectrum4_000455 Prestwick3_000254 KBio2_001521 10,11-Dihydro-N-methyl-5H-dibenzo(a,d)cycloheptene-delta(5,gamma)-propylamine Lilly 38489 3-(5,6-dihydrodibenzo[[?],[?]][7]annulen-11-ylidene)-N-methyl-propan-1-amine MRF-0000480 AB00052061 NCGC00014483-07 Amitryptyline, demethyl- NCGC00024261-05 Aventyl allegron Noramitriptyline BRN 2216786 Nortriptylene hydrochloride Nortryptiline Demethylamitryptyline Pamelor EN300-57709 QTL1_000063 SPBio_001093 SR-01000000223-4 Pharmakon1600-01500442 HMS2091J20 1-Propanamine, 3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-N-methyl- KBio3_001611 21B LS-60753 5-(alpha-Methylaminopropylidene)dibenzo(a,d)cyclohepta(1,4)diene NCGC00014483-02 Acetexa NCGC00014483-10 Ateben NCI60_001354 BDBM112777 Nortab hydrochloride C07274 D08288 NSC-169453 Desmethylamitriptylin PDSP1_001805 Sensaval Spectrum2_000997 Vividyl Prestwick1_000254 [ Show all ]
Inchi Key	PHVGLTMQBUFIQQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3
PubChem CID	4543
ChEMBL	CHEMBL445
IUPHAR	N/A
BindingDB	112777
DrugBank	DB00540
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	94.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	43.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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