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-1A adrenergic receptor
Species	Rattus norvegicus (Rat)
Gene	Adra1a
Synonym	alpha1c alpha1A-adrenoceptor alpha1a Alpha-1C adrenergic receptor Alpha-1A adrenoreceptor Alpha-1A adrenoceptor alpha-1A adrenergic receptor ADRA1C alpha 1C-adrenergic receptor alpha 1A-adrenoreceptor alpha 1A-adrenoceptor adrenergic receptor, alpha 1a adrenergic receptor alpha 1c adrenergic alpha 1c receptor ADRA1L1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	466
Amino acid sequence	MVLLSENASEGSNCTHPPAPVNISKAILLGVILGGLIIFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEILGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGVRALLCVWVLSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYVPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNVPAEGGGVSSAKNKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLRRRQSSKHALGYTLHPPSQALEGQHRDMVRIPVGSGETFYKISKTDGVCEWKFFSSMPQGSARITVPKDQSACTTARVRSKSFLQVCCCVGSSAPRPEENHQVPTIKIHTISLGENGEEV
UniProt	P43140
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL319
IUPHAR	22
DrugBank	N/A

Ligand

Name	tamoxifen
Molecular formula	C26H29NO
IUPAC name	2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
Molecular weight	371.524
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	7.1
Synonyms	VA11813 AB00053547_19 NCGC00024928-05 (Z)-2-(4-(1,2-diphenylbut-1-enyl)phenoxy)-N,N-dimethylethanamine B5965 NCGC00024928-14 1-para-beta-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene BRD-K93754473-048-05-3 NCGC00261179-01 10331-EP2277865A1 CCG-205277 Oncomox 10331-EP2292617A1 Crisafeno SCHEMBL4084 10331-EP2298780A1 DSSTox_GSID_34187 Tamone 10331-EP2308833A2 Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethyl- Tamoxifen (Z) 10331-EP2316452A1 HMS1792J11 Tamoxifene 1ya4 IDI1_002170 ICI 47699 Tox21_201243 2060AH LP00494 MLS001332535 (E/Z)-Tamoxifen W-108788 AJ-26679 NCGC00024928-09 (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINE BIDD:GT0009 NCGC00024928-17 10331-EP2270008A1 BSPBio_001150 Nourytam 10331-EP2281815A1 Prestwick3_000146 10331-EP2295427A1 D08559 Spectrum5_001417 10331-EP2301933A1 EBD41546 10331-EP2311455A1 GA9513 Tamoxifen [INN:BAN] 10331-EP2316833A1 HMS2232C12 Tamoxifeno [INN-Spanish] 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethyl-ethanamine KB-282403 ICI-47699 TRANS FORM OF TAMOXIFEN 7728-73-6 UNII-094ZI81Y45 AB00053547-17 NCGC00024928-03 (Z)-2-(4-(1,2-diphenylbut-1-en-1-yl)phenoxy)-N,N-dimethylethan-1-amine [3H]tamoxifen AOB5640 NCGC00024928-12 1-p-.beta.-Dimethylamino-ethoxyphenyl-trans-1,2-diphenylbut-1-ene BRD-K93754473-001-02-9 NCGC00254455-01 10331-EP2272832A1 C26H29NO NSC-727681 10331-EP2292576A2 Citofen SBI-0051170.P004 10331-EP2298748A2 Diemon ST24049323 10331-EP2305671A1 Ethanamine, 2-(4-((1Z)-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl- TAMOXIFEN (TAMOXIFEN CITRATE (54965-24-1)) 10331-EP2311840A1 GTPL5384 Tamoxifen, analytical standard 10540-29-1 HSDB 6782 Tocris-0999 2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanamine L024126 LS-393 Valodex AB00053547_20 NCGC00024928-07 (Z)-2-(para-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylamine BDBM20607 NCGC00024928-15 1-[4-(2-Dimethylaminoethoxy)phenyl]-1,2-diphenyl-1-butene BRD-K93754473-048-10-3 NKANXQFJJICGDU-QPLCGJKRSA-N 10331-EP2277876A1 CCRIS 3275 Pms-Tamoxifen 10331-EP2295416A2 CS-2870 SMR000059172 10331-EP2301536A1 DSSTox_RID_79121 Tamoplex (TN) 10331-EP2308855A1 Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-butenyl]phenoxy]-N,N-dimethyl- Tamoxifen and its salts 10331-EP2316831A1 HMS1990J11 Tamoxifene [INN-French] 2-[4-[(1Z)-1,2-Diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethylethanamine Istubal (TN) ICI-46,474 Tox21_300539 540T291 A801229 MLS001332536 (Z)-1-(p-Dimethylaminoethoxyphenyl)-1,2-diphenyl-1-butene, trans-2-[4-(1,2-Diphenyl-1-butenyl)phenoxy]-N,N-dimethylethylamine ZINC1530689 AKOS022143035 NCGC00024928-10 (Z)-2-[p-(1,2-Diphenyl-1-butenyl)phenoxy]-N,N-dimethylethylamine BIDD:PXR0003 NCGC00024928-18 10331-EP2270018A1 BSPBio_001982 Novaldex 10331-EP2289892A1 CHEMBL83 QTL1_000079 10331-EP2298305A1 D0FP3G Spectrum5_002043 10331-EP2305640A2 EC 234-118-0 Tamoxifen (Hormonal therapy) 10331-EP2311825A1 Gen-Tamoxifen Tamoxifen, 7 10331-EP2316834A1 HMS3261D09 Tamoxifenum 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine KB-80805 IDI1_000258 trans-2-[4-(1,2-Diphenyl-1-butenyl)phenoxy]-N,N-dimethylethylamine UPCMLD-DP027 AB00053547-18 NCGC00024928-04 (Z)-2-(4-(1,2-diphenylbut-1-en-1-yl)phenoxy)-N,N-dimethylethanamine AX8001839 NCGC00024928-13 1-p-beta-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene BRD-K93754473-048-04-6 NCGC00258795-01 10331-EP2275102A1 CAS-10540-29-1 NSC727681 10331-EP2292614A1 cMAP_000044 SC-45564 10331-EP2298778A1 DSSTox_CID_14187 Tamizam 10331-EP2305689A1 Ethanamine, 2-(4-(1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl-, (Z)- Tamoxifen (TN) 10331-EP2311842A2 HMS1362J11 Tamoxifen, certified reference material, TraceCERT(R) 13002-65-8 HY-13757A Tomaxithen Lopac0_001203 MFCD00010454 (2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine Valodex (TN) AC1MBZ3R NCGC00024928-08 (Z)-2-(para-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylamine (IUPAC) BIDD:ER0008 NCGC00024928-16 BSPBio_000252 Nolvadex-D 10331-EP2280012A2 CHEBI:41774 Prestwick2_000146 10331-EP2295426A1 D07KSG Soltamox 10331-EP2301538A1 DTXSID1034187 Tamoxen 10331-EP2308861A1 Ethylamine, N,N-dimethyl-2-(p-(1,2-diphenyl-1-butenyl)phenoxy)-, (Z)- Tamoxifen Drug Standard Solution 10331-EP2316832A1 HMS2090N08 Tamoxifeno 2-[4-[(Z)-1,2-di(phenyl)but-1-enyl]phenoxy]-N,N-dimethylethanamine Istubol ICI-46474 Tox21_500494 54965-24-1 (citrate) trans-Tamoxifen AB00053547-16 NCGC00024928-01 (Z)-2-(4-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylethanamine [3H]-tamoxifen AM84324 NCGC00024928-11 094ZI81Y45 BPBio1_000278 NCGC00024928-19 10331-EP2272827A1 C07108 Novo-Tamoxifen 10331-EP2292233A2 cid_2733526 Retaxim 10331-EP2298746A1 DB00675 ST24049322 10331-EP2305642A2 EINECS 234-118-0 Tamoxifen (INN) 10331-EP2311827A1 GTPL1016 Tamoxifen, >=99% 10331-EP2374454A1 HMS3403J11 Tamoxifenum [INN-Latin] 2-[4-[1,2-di(phenyl)but-1-enyl]phenoxy]-n,n-dimethylethanamine KS-1472 [ Show all ]
Inchi Key	NKANXQFJJICGDU-QPLCGJKRSA-N
Inchi ID	InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
PubChem CID	2733526
ChEMBL	CHEMBL83
IUPHAR	1016
BindingDB	20607
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	22050.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	8925.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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