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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	danazol
Molecular formula	C22H27NO2
IUPAC name	(1S,2R,13R,14S,17R,18S)-17-ethynyl-2,18-dimethyl-7-oxa-6-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-ol
Molecular weight	337.463
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.8
Synonyms	CAS-17230-88-5 SR-01000760722-2 Cyclomen W-107864 Danazol [USAN:BAN:INN:JAN] [1,2]oxazolo[4',5':2,3]-17alpha-pregn-4-en-20-yn-17-ol Danogen DSSTox_CID_2880 (17a)-Pregna-2,4-dien-20-yno[2,3-d]isoxazol-17-ol HMS2090A22 17-alpha-Pregn-4-en-20-yno(2,3-d)isoxazol-17-ol LS-118524 17\|A-hydroxy-2,4,17\|A-pregnadien-20-yno[2,3-D]isoxazole NCGC00179665-02 AC1Q282K Pregna-2, {4-dien-20-yno[2,3-d]isoxazol-17-ol,} (17.alpha.)- AS-13035 ratiopharm Brand of Danazol Sanofi Winthrop Brand of Danazol CHEBI:4315 Tox21_112114 Danatrol WIN 17757 Danazole Danoval DTXSID2022880 (1S,2R,13R,14S,17R,18S)-17-ethynyl-2,18-dimethyl-7-oxa-6-azapentacyclo[11.7.0.0^{2,10}.0^{4,8}.0^{14,18}]icosa-4(8),5,9-trien-17-ol HMS3259M10 17230-88-5 MLS001306473 1H-Cyclopenta[7,8]phenanthro[3,2-d]isoxazole- pregna-2,4-dien-20-yno[2,3-d]isoxazol-17-ol deriv. Norciden Alphapharm Brand of Danazol Prestwick0_000105 Bonzol SPBio_002029 Chronogyn UNII-N29QWW3BUO Danazol (JAN/USP/INN) Winobanin Danocrine GTPL6942 17 alpha-pregna-2,4-dien-20-yno[2,3-D] isoxazol-17 beta-ol Kendrick Brand of Danazol 17alpha-Pregna-2,4-dien-20-yno(2,3-d)isoxazol-17-ol NCGC00164400-01 AC-6836 Optina Antigen Brand of Danazol Prestwick3_000105 BSPBio_000090 CCG-220105 SR-05000000445 D00289 Win 17, 757 Danazol [USAN:USP:INN:BAN:JAN] Danokrin DSSTox_GSID_22880 (1R,3aS,3bR,10aR,10bS,12aS)-1-ethynyl-10a,12a-dimethyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-1H-cyclopenta[7,8]phenanthro[3,2-d]isoxazol-1-ol HMS2095E12 17-alpha-Pregna-2,4-dien-20-yno(2,3-d)isoxazol-17-ol MCULE-5533294331 199957-EP2272825A2 NCGC00179665-04 AC1Q29FD Pregna-2,4-dien-20-yno(2,3-d)isoxazol-17-ol, (17alpha)- BCP11914 Sanofi Brand of Danazol SCHEMBL21107 Tox21_112114_1 Danazant Win-17,757 Danazolum Danovaol EINECS 241-270-1 1-Ethynyl-10a,12a-dimethyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-1H-cyclopenta[7,8]phenanthro[3,2-d]isoxazol-1-ol HMS3712E12 17a-Pregna-2,4-dien-20-yne-[2,3-d]isoxazole-17b-ol N29QWW3BUO 2,4,17alpha-Pregnadien-20-yno[2,3-d]-isoxa-zol-17-ol NSC 270916 AN-9615 Prestwick1_000105 BPBio1_000100 C06938 SR-01000760722 CS-4547 Vasaloc Danazol (JP17/USP/INN) ZINC3881958 Danocrine (TN) DB01406 HMS1568E12 17-alpha-2,4-Pregnadien-20-yno(2,3-d)isoxazol-17-ol Ladogal 17beta-Hydroxy-2,4,17alpha-pregnadien-20-yno[2,3-d]-isoxazole NCGC00179665-01 AC1L1FAD Panacrine API0002209 Prestwick_150 CCRIS 6747 SR-05000000445-2 D09IPV WIN 17,757 Danazol-ratiopharm Danol DSSTox_RID_76772 (1S,2R,13R,14S,17R,18S)-17-ethynyl-2,18-dimethyl-7-oxa-6-azapentacyclo[11.7.0.0;{2,10}.0;{4,8}.0;{14,18}]icosa-4(8),5,9-trien-17-ol HMS2231M08 17.Alpha.-Pregna-2, {4-dien-20-yno[2,3-d]isoxazol-17-ol} MLS001066617 199957-EP2275420A1 NCGC00255335-01 AKOS015961192 Pregna-2,4-dien-20-yno(2,3-d)isoxazol-17-ol,(17alpha)- BDBM50423541 Sanofi Synthelabo Brand ofDanazol SMR000058321 CHEMBL1479 Tox21_301940 WIN-17757 Danazolum [INN-Latin] Danzol ethynyl(dimethyl)[?]ol 1-ethynyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-10a,12a-dimethyl-1H-Cyclopenta[7,8]phenanthro[3,2-d]isoxazol-1-ol HY-B1029 17a-Pregna-2,4-dien-20-yno[2,3-d]isoxazol-17-ol NC00557 230D885 NSC270916 anatrol Prestwick2_000105 BRD-K48970916-001-03-0 [ Show all ]
Inchi Key	POZRVZJJTULAOH-LHZXLZLDSA-N
Inchi ID	InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1
PubChem CID	28417
ChEMBL	CHEMBL1479
IUPHAR	N/A
BindingDB	N/A
DrugBank	DB01406
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	20449.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	10225.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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