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GPCR

Name	Gonadotropin-releasing hormone receptor
Species	Homo sapiens (Human)
Gene	GNRHR
Synonym	LHRHR GnRH I receptor Type I GnRHR gnRH receptor GnRH-R LHRH receptor GnRHR GNRHR1 luteinizing hormone-releasing hormone (LHRH) receptor luliberin receptor GnRH1 receptor [ Show all ]
Disease	Uterine leiomyoma Hypothalamic hypogonadism Ovulation Prostate cancer Prostate disease Prostate hyperplasia Unspecified Female infertility Esophageal cancer Endometriosis Controlled ovarian stimulation Cancer Advanced prostate cancer Acute lymphoblastic leukemia Hormone deficiency [ Show all ]
Length	328
Amino acid sequence	MANSASPEQNQNHCSAINNSIPLMQGNLPTLTLSGKIRVTVTFFLFLLSATFNASFLLKLQKWTQKKEKGKKLSRMKLLLKHLTLANLLETLIVMPLDGMWNITVQWYAGELLCKVLSYLKLFSMYAPAFMMVVISLDRSLAITRPLALKSNSKVGQSMVGLAWILSSVFAGPQLYIFRMIHLADSSGQTKVFSQCVTHCSFSQWWHQAFYNFFTFSCLFIIPLFIMLICNAKIIFTLTRVLHQDPHELQLNQSKNNIPRARLKTLKMTVAFATSFTVCWTPYYVLGIWYWFDPEMLNRLSDPVNHFFFLFAFLNPCFDPLIYGYFSL
UniProt	P30968
Protein Data Bank	N/A
GPCR-HGmod model	P30968
3D structure model	This predicted structure model is from GPCR-EXP P30968.
BioLiP	N/A
Therapeutic Target Database	T12475
ChEMBL	CHEMBL1855
IUPHAR	256
DrugBank	BE0000203

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	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 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 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 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 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 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 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 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 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 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 17beta-Hydroxy-2,4,17alpha-pregnadien-20-yno[2,3-d]-isoxazole NCGC00179665-01 AC1L1FAD Panacrine API0002209 Prestwick_150 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 MLS001066617 199957-EP2275420A1 NCGC00255335-01 AKOS015961192 Pregna-2,4-dien-20-yno(2,3-d)isoxazol-17-ol,(17alpha)- BDBM50423541 Sanofi Synthelabo Brand ofDanazol 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} 17a-Pregna-2,4-dien-20-yno[2,3-d]isoxazol-17-ol NC00557 230D885 NSC270916 anatrol Prestwick2_000105 BRD-K48970916-001-03-0 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 [ 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
	N/A	N/A	DrugBank

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