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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	Gestrinone
Molecular formula	C21H24O2
IUPAC name	(8S,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Molecular weight	308.421
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	2.2
Synonyms	BRN 5610726 CTK8G0032 DSSTox_CID_3094 Gestrinona [INN-Spanish] HMS3715A15 Nemestran SR-01000872705-1 (17a)-13-ethyl-17-hydroxy-18,19-Dinorpregna-4,9,11-trien-20-yn-3-one 13-Ethyl-17a-ethynyl-17b-hydroxygona-4,9,11-trien-3-one 40542-65-2 A-46745 CC-28968 DTXSID4023094 Gestrinone [USAN:BAN:INN] LS-185034 R-2323 Tridomose (8S,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one 16320-04-0 AKOS015894932 CHEMBL1868702 Dimetrose Gestrigone Gestrinonum [INN-Latin] NCGC00167457-01 SCHEMBL217651 13-ethyl-17-hydroxy-18,19-Dinor-17a-pregna-4,9,11-trien-20-yn-3-one 18,19-Dinorpregna-4,9,11-trien-20-yn-3-one, 13-ethyl-17-hydroxy-, (17-alpha)- (9CI) C-19158 D04317 DSSTox_GSID_23094 HY-101405 Pregna-4,9,11-trien-20-yn-3-one, 13-ethyl-17-hydroxy-18,19-dinor-, (17alpha)- Tox21_112461 (17alpha)-13-Ethyl-17-hydroxy-18,19-dinorpregna-4,9,11-trien-20-yn-3-one 13-Ethyl-17\|A-ethynyl-17\|A-hydroxygona-4,9,11-trien-3-one A 46 745 AB01275442-01 CCG-220967 DB11619 Ethylnorgestrienone Gestrinone [USAN:INN:BAN] LS-62072 RU 2323 UNII-1421533RCM 13-beta-Ethyl-17-alpha-ethinyl-17-hydroxy-gona-4,9,11-triene-3-one 18,19-Dinor-17-alpha-pregna-4,9,11-trien-20-yn-3-one, 13-ethyl-17-hydroxy- BDBM50423515 CS-6362 Dimetrose (TN) Gestrinona HMS2089K16 NCGC00167457-02 SR-01000872705 (10S,11S,14R,15S)-15-ethyl-14-ethynyl-14-hydroxytetracyclo[8.7.0.0;{2,7}.0;{11,15}]heptadeca-1,6,16-trien-5-one 13-Ethyl-17-hydroxy-18,19-dinor-17alpha-pregna-4,9,11-trien-20-yn-3-one 320G040 CAS-16320-04-0 D0M5RF DSSTox_RID_76871 Gestrinone (USAN/INN) J-010018 R 2323 Tox21_112461_1 (17\|A)-13-Ethyl-17-hydroxy-18,19-dinorpregna-4,9,11-trien-20-yn-3-one 1421533RCM A 46745 AC1L1E0G CHEBI:89642 Dimetriose G0436 Gestrinonum MolPort-006-069-286 Ru-2323 ZINC3938633 13-Ethyl-17-alpha-ethinyl-17-hydroxygon-4,9,11-trien-3-one 18,19-Dinorpregna-4,9,11-trien-20-yn-3-one, 13-ethyl-17-hydroxy-, (17-alpha)- [ Show all ]
Inchi Key	BJJXHLWLUDYTGC-ANULTFPQSA-N
Inchi ID	InChI=1S/C21H24O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,9,11,13,18-19,23H,3,5-8,10,12H2,1H3/t18-,19+,20+,21+/m1/s1
PubChem CID	27812
ChEMBL	N/A
IUPHAR	N/A
BindingDB	N/A
DrugBank	DB11619
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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