Zhang Lab

University of Michigan

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●DMFold ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

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	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	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 KBio2_001521 10,11-Dihydro-N-methyl-5H-dibenzo(a,d)cycloheptene-delta(5,gamma)-propylamine Lilly 38489 Spectrum2_000997 Vividyl Prestwick1_000254 Sensaval 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 HMS2091J20 1-Propanamine, 3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-N-methyl- KBio3_001611 21B LS-60753 Spectrum5_001377 Psychostyl Sensoval (TN) 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 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 SPBio_002287 UNII-BL03SY4LXB PHVGLTMQBUFIQQ-UHFFFAOYSA-N SBI-0050843.P004 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 (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 Spectrum3_000526 ZINC1530741 Prestwick2_000254 Sensival 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 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 Spectrum_001041 PDSP2_001788 Psychostyl (Salt/Mix) Sesaval 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 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 SPECTRUM1500442 US8629135, SW-02 Prestwick0_000254 SCHEMBL34527 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 HMS1920B20 KBio2_006657 Lopac0_000868 Spectrum4_000455 Prestwick3_000254 Sensival Ventyl 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 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 SR-01000000223-4 Pharmakon1600-01500442 QTL1_000063 SPBio_001093 [ 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
	N/A	N/A	DrugBank

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218