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GPCR

Name	5-hydroxytryptamine receptor 2B
Species	Homo sapiens (Human)
Gene	HTR2B
Synonym	stomach fundus serotonin receptor serotonin receptor 2B 5-HT2F 5-HT-2B 5-HT2B 5-HT2B receptor 5-hydroxytryptamine (serotonin) receptor 2B, G protein-coupled [ Show all ]
Disease	Psychoses Migraine Irritable bowel syndrome Depression; Cerebral infarction Coronary heart disease Congestive heart failure Pulmonary arterial hypertension [ Show all ]
Length	481
Amino acid sequence	MALSYRVSELQSTIPEHILQSTFVHVISSNWSGLQTESIPEEMKQIVEEQGNKLHWAALLILMVIIPTIGGNTLVILAVSLEKKLQYATNYFLMSLAVADLLVGLFVMPIALLTIMFEAMWPLPLVLCPAWLFLDVLFSTASIMHLCAISVDRYIAIKKPIQANQYNSRATAFIKITVVWLISIGIAIPVPIKGIETDVDNPNNITCVLTKERFGDFMLFGSLAAFFTPLAIMIVTYFLTIHALQKKAYLVKNKPPQRLTWLTVSTVFQRDETPCSSPEKVAMLDGSRKDKALPNSGDETLMRRTSTIGKKSVQTISNEQRASKVLGIVFFLFLLMWCPFFITNITLVLCDSCNQTTLQMLLEIFVWIGYVSSGVNPLVYTLFNKTFRDAFGRYITCNYRATKSVKTLRKRSSKIYFRNPMAENSKFFKKHGIRNGINPAMYQSPMRLRSSTIQSSSIILLDTLLLTENEGDKTEEQVSYV
UniProt	P41595
Protein Data Bank	5tud, 5tvn, 6drx, 4ib4, 4nc3, 6dry, 6drz, 6ds0
GPCR-HGmod model	P41595
3D structure model	This structure is from PDB ID 5tud.
BioLiP	BL0425280, BL0425283, BL0425282, BL0239858, BL0239859, BL0265182, BL0265183, BL0368464, BL0425281, BL0385686,BL0385687, BL0425284, BL0425285, BL0425286, BL0368465, BL0425287
Therapeutic Target Database	T31204
ChEMBL	CHEMBL1833
IUPHAR	7
DrugBank	BE0000393

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	NCIStruc1_000856 BL03SY4LXB Nortrilen (TN) CCG-38266 Nortriptyline [INN:BAN] DB00540 NSC169453 DivK1c_000151 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 Pharmakon1600-01500442 QTL1_000063 SPBio_001093 SR-01000000223-4 Noramitriptyline BRN 2216786 Nortriptylene hydrochloride Nortryptiline Demethylamitryptyline Pamelor EN300-57709 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 Prestwick1_000254 Sensaval Spectrum2_000997 Vividyl BDBM112777 Nortab hydrochloride C07274 D08288 NSC-169453 Desmethylamitriptylin PDSP1_001805 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 Psychostyl Sensoval (TN) Spectrum5_001377 NCIStruc2_000700 BPBio1_000076 Nortriptilina CCRIS 9175 Nortriptylinum Demethylamitriptylene NSC757234 DTXSID9023384 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 PHVGLTMQBUFIQQ-UHFFFAOYSA-N SBI-0050843.P004 SPBio_002287 UNII-BL03SY4LXB AVENTYL HCL Noritren BSPBio_000068 Nortriptylin hydrochloride CHEMBL445 Nortryptyline Desitriptilina Pamelor (TN) GTPL2404 (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 Prestwick2_000254 Sensival Spectrum3_000526 ZINC1530741 BIDD:PXR0187 Nortrilen CAS-894-71-3 Nortriptyline (INN) NSC-757234 Desmethylamitriptyline 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 PDSP2_001788 Psychostyl (Salt/Mix) Sesaval Spectrum_001041 NINDS_000151 BRD-K91263825-003-03-2 Nortriptilina [DCIT] CHEBI:7640 Nortriptylinum [INN-Latin] Demethylamitriptyline NSC78248 EINECS 200-788-8 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) Prestwick0_000254 SCHEMBL34527 SPECTRUM1500442 US8629135, SW-02 Aventyl hydrochloride Norpress (TN) BSPBio_002111 nortriptylina D04WFD Norzepine Desitriptyline Pamelor hydrochloride HMS1920B20 KBio2_006657 Lopac0_000868 5-(3-Methylaminopropylidene)-10,11-dihydro-5H-dibenzo(a,d)cycloheptene NCGC00014483 AC1L1IED NCGC00014483-09 API0003635 NCI169453 Prestwick3_000254 Sensival Ventyl Spectrum4_000455 [ 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	136.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	86.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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