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GPCR

Name	D(1A) dopamine receptor
Species	Homo sapiens (Human)
Gene	DRD1
Synonym	D1 receptor D1A DADR Gpcr15 dopamine D1 receptor Dopamine-1A receptor [ Show all ]
Disease	Unspecified Hypertension Pain Parkinson's disease Psychiatric disorder Psychotic disorders Schizophrenia Substance dependence Type 2 diabetes Excessive bleeding following childbirth and spontaneous or elective abortion Cocaine addiction Dementia Cognitive disorders [ Show all ]
Length	446
Amino acid sequence	MRTLNTSAMDGTGLVVERDFSVRILTACFLSLLILSTLLGNTLVCAAVIRFRHLRSKVTNFFVISLAVSDLLVAVLVMPWKAVAEIAGFWPFGSFCNIWVAFDIMCSTASILNLCVISVDRYWAISSPFRYERKMTPKAAFILISVAWTLSVLISFIPVQLSWHKAKPTSPSDGNATSLAETIDNCDSSLSRTYAISSSVISFYIPVAIMIVTYTRIYRIAQKQIRRIAALERAAVHAKNCQTTTGNGKPVECSQPESSFKMSFKRETKVLKTLSVIMGVFVCCWLPFFILNCILPFCGSGETQPFCIDSNTFDVFVWFGWANSSLNPIIYAFNADFRKAFSTLLGCYRLCPATNNAIETVSINNNGAAMFSSHHEPRGSISKECNLVYLIPHAVGSSEDLKKEEAAGIARPLEKLSPALSVILDYDTDVSLEKIQPITQNGQHPT
UniProt	P21728
Protein Data Bank	N/A
GPCR-HGmod model	P21728
3D structure model	This predicted structure model is from GPCR-EXP P21728.
BioLiP	N/A
Therapeutic Target Database	T22118
ChEMBL	CHEMBL2056
IUPHAR	214
DrugBank	BE0000020

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	NCGC00024928-01 [3H]-tamoxifen NCGC00024928-11 NCGC00024928-19 Novo-Tamoxifen Retaxim ST24049322 Tamoxifen (INN) Tamoxifen, >=99% Tamoxifenum [INN-Latin] KS-1472 trans-Tamoxifen HY-13757A AB00053547-18 (Z)-2-(4-(1,2-diphenylbut-1-en-1-yl)phenoxy)-N,N-dimethylethanamine AX8001839 1-p-beta-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene BRD-K93754473-048-04-6 10331-EP2275102A1 CAS-10540-29-1 10331-EP2292614A1 cMAP_000044 10331-EP2298778A1 DSSTox_CID_14187 10331-EP2305689A1 Ethanamine, 2-(4-(1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl-, (Z)- 10331-EP2311842A2 HMS1362J11 13002-65-8 NCGC00024928-05 NCGC00024928-14 NCGC00261179-01 Oncomox SCHEMBL4084 Tamone Tamoxifen (Z) Tamoxifene IDI1_002170 Tox21_201243 LP00494 VA11813 2-[4-[(Z)-1,2-di(phenyl)but-1-enyl]phenoxy]-N,N-dimethylethanamine ICI-46474 54965-24-1 (citrate) (2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine AC1MBZ3R (Z)-2-(para-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylamine (IUPAC) BIDD:ER0008 BSPBio_000252 10331-EP2280012A2 CHEBI:41774 10331-EP2295426A1 D07KSG 10331-EP2301538A1 DTXSID1034187 10331-EP2308861A1 Ethylamine, N,N-dimethyl-2-(p-(1,2-diphenyl-1-butenyl)phenoxy)-, (Z)- 10331-EP2316832A1 HMS2090N08 W-108788 NCGC00024928-09 NCGC00024928-17 Nourytam Prestwick3_000146 Spectrum5_001417 Tamoxifen [INN:BAN] Tamoxifeno [INN-Spanish] KB-282403 TRANS FORM OF TAMOXIFEN MLS001332535 HMS3403J11 2-[4-[1,2-di(phenyl)but-1-enyl]phenoxy]-n,n-dimethylethanamine AB00053547-16 (Z)-2-(4-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylethanamine AM84324 094ZI81Y45 BPBio1_000278 10331-EP2272827A1 C07108 10331-EP2292233A2 cid_2733526 10331-EP2298746A1 DB00675 10331-EP2305642A2 EINECS 234-118-0 10331-EP2311827A1 GTPL1016 10331-EP2374454A1 NCGC00024928-03 [3H]tamoxifen NCGC00024928-12 NCGC00254455-01 NSC-727681 SBI-0051170.P004 ST24049323 TAMOXIFEN (TAMOXIFEN CITRATE (54965-24-1)) Tamoxifen, analytical standard Tocris-0999 L024126 UNII-094ZI81Y45 ICI 47699 2060AH AB00053547_19 (Z)-2-(4-(1,2-diphenylbut-1-enyl)phenoxy)-N,N-dimethylethanamine B5965 1-para-beta-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene BRD-K93754473-048-05-3 10331-EP2277865A1 CCG-205277 10331-EP2292617A1 Crisafeno 10331-EP2298780A1 DSSTox_GSID_34187 10331-EP2308833A2 Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethyl- 10331-EP2316452A1 HMS1792J11 1ya4 Valodex NCGC00024928-07 NCGC00024928-15 NKANXQFJJICGDU-QPLCGJKRSA-N Pms-Tamoxifen SMR000059172 Tamoplex (TN) Tamoxifen and its salts Tamoxifene [INN-French] Istubal (TN) Tox21_300539 LS-393 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethyl-ethanamine ICI-47699 7728-73-6 (E/Z)-Tamoxifen AJ-26679 (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINE BIDD:GT0009 10331-EP2270008A1 BSPBio_001150 10331-EP2281815A1 10331-EP2295427A1 D08559 10331-EP2301933A1 EBD41546 10331-EP2311455A1 GA9513 10331-EP2316833A1 HMS2232C12 ZINC1530689 NCGC00024928-10 NCGC00024928-18 Novaldex QTL1_000079 Spectrum5_002043 Tamoxifen (Hormonal therapy) Tamoxifen, 7 Tamoxifenum KB-80805 trans-2-[4-(1,2-Diphenyl-1-butenyl)phenoxy]-N,N-dimethylethylamine MLS001332536 HSDB 6782 2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanamine AB00053547-17 (Z)-2-(4-(1,2-diphenylbut-1-en-1-yl)phenoxy)-N,N-dimethylethan-1-amine AOB5640 1-p-.beta.-Dimethylamino-ethoxyphenyl-trans-1,2-diphenylbut-1-ene BRD-K93754473-001-02-9 10331-EP2272832A1 C26H29NO 10331-EP2292576A2 Citofen 10331-EP2298748A2 Diemon 10331-EP2305671A1 Ethanamine, 2-(4-((1Z)-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl- 10331-EP2311840A1 GTPL5384 10540-29-1 NCGC00024928-04 NCGC00024928-13 NCGC00258795-01 NSC727681 SC-45564 Tamizam Tamoxifen (TN) Tamoxifen, certified reference material, TraceCERT(R) Tomaxithen Lopac0_001203 UPCMLD-DP027 2-[4-[(1Z)-1,2-Diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethylethanamine ICI-46,474 540T291 AB00053547_20 (Z)-2-(para-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylamine BDBM20607 1-[4-(2-Dimethylaminoethoxy)phenyl]-1,2-diphenyl-1-butene BRD-K93754473-048-10-3 10331-EP2277876A1 CCRIS 3275 10331-EP2295416A2 CS-2870 10331-EP2301536A1 DSSTox_RID_79121 10331-EP2308855A1 Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-butenyl]phenoxy]-N,N-dimethyl- 10331-EP2316831A1 HMS1990J11 Valodex (TN) NCGC00024928-08 NCGC00024928-16 Nolvadex-D Prestwick2_000146 Soltamox Tamoxen Tamoxifen Drug Standard Solution Tamoxifeno Istubol Tox21_500494 MFCD00010454 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine IDI1_000258 A801229 (Z)-1-(p-Dimethylaminoethoxyphenyl)-1,2-diphenyl-1-butene, trans-2-[4-(1,2-Diphenyl-1-butenyl)phenoxy]-N,N-dimethylethylamine AKOS022143035 (Z)-2-[p-(1,2-Diphenyl-1-butenyl)phenoxy]-N,N-dimethylethylamine BIDD:PXR0003 10331-EP2270018A1 BSPBio_001982 10331-EP2289892A1 CHEMBL83 10331-EP2298305A1 D0FP3G 10331-EP2305640A2 EC 234-118-0 10331-EP2311825A1 Gen-Tamoxifen 10331-EP2316834A1 HMS3261D09 [ 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	8502.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	4251.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Potency	819.9 nM	PubChem BioAssay data set	ChEMBL
Potency	11220.2 nM	PubChem BioAssay data set	ChEMBL

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