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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	BUSERELIN
Molecular formula	C60H86N16O13
IUPAC name	(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
Molecular weight	1239.45
Hydrogen bond acceptor	15
Hydrogen bond donor	15
XlogP	-0.1
Synonyms	AKOS030213242 Busereline [INN-French] D-Ser(tbu(sup 6))-LH-RH-(1-9)-nonapeptide ethylamide FT-0623289 Luteinizing hormone-releasing hormone (pig), 6-(O-(1,1-dimethylethyl)-D-serine)-9-(N-ethyl-L-prolinamide)-10-deglycinamide- Profact UNII-PXW8U3YXDV 982B771 Buserelin acetate salt C60H86N16O13 D04GSY HOE 766A MFCD00941414 SCHEMBL13354 (D-Ser(Bu(sup t)(sup 6)))-LH-RH(1-9)nonapeptide-ethylamide AC1Q5OOQ Buserelina [INN-Spanish] EINECS 261-061-9 KS-00002WUO O890 Suprefact (TN) 104428-01-5 57982-77-1 Buserelinum D-Ser(Tbu)6EA10LHRH GTPL3860 Luteinizing hormone-releasing hormone, (D-ser(tbu)(sup 6)-EA(sup 10))- PXW8U3YXDV W-105422 (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)-1-pyrrolidinyl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-3-(4-hy A831694 Buserelin [INN:BAN] CCRIS 2657 D07259 HS-2005 MolPort-009-194-174 SCHEMBL19409318 (D-Ser(tbu)(sup 6)-EA(sup 10))-LHRH 111520-35-5 AKOS015994645 Busereline CHEMBL2110824 Etilamide Luteinizing hormone-releasing factor (pig), 6-(O-(1,1-dimethylethyl)-D-serine)-9-(N-ethyl-L-prolinamide)-10-deglycinamide- pGlu-His-Trp-Ser-Tyr-D-Ser(t-Bu)-Leu-Arg-Pro-NHEt acetate salt Tiloryth (TN) 68630-75-1 (acetate salt) Buserelin (INN) Buserelinum [INN-Latin] D-Ser-(TBu)(sup 6)-LHRH-ethylamide HOE 766 Metrelef S 746766 (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxi AC1L18ON Buserelina CHEBI:135907 des-Gly10-[D-Ser[t-Bu]6]-LH-RH ethylamide acetate salt ICI 123215 NCGC00181295-01 SCHEMBL19459955 (D-Ser(tbu)(sup 6)-EA(sup 10))-luteinizing hormone-releasing hormone [ Show all ]
Inchi Key	CUWODFFVMXJOKD-UVLQAERKSA-N
Inchi ID	InChI=1S/C60H86N16O13/c1-7-64-57(87)48-15-11-23-76(48)58(88)41(14-10-22-65-59(61)62)69-51(81)42(24-33(2)3)70-56(86)47(31-89-60(4,5)6)75-52(82)43(25-34-16-18-37(78)19-17-34)71-55(85)46(30-77)74-53(83)44(26-35-28-66-39-13-9-8-12-38(35)39)72-54(84)45(27-36-29-63-32-67-36)73-50(80)40-20-21-49(79)68-40/h8-9,12-13,16-19,28-29,32-33,40-48,66,77-78H,7,10-11,14-15,20-27,30-31H2,1-6H3,(H,63,67)(H,64,87)(H,68,79)(H,69,81)(H,70,86)(H,71,85)(H,72,84)(H,73,80)(H,74,83)(H,75,82)(H4,61,62,65)/t40-,41-,42-,43-,44-,45-,46-,47+,48-/m0/s1
PubChem CID	50225
ChEMBL	CHEMBL2110824
IUPHAR	3860
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	0.03 nM	PMID26774084	IUPHAR
Kd	0.04 - 0.3 nM	PMID26398856	IUPHAR
Ki	0.1 - 0.4 nM	PMID26398856	IUPHAR
koff	0.009 min^-1	DOI: http://dx.doi.org/10.6019/CHEMBL3885741	ChEMBL
koff	0.016 min^-1	DOI: http://dx.doi.org/10.6019/CHEMBL3885741	ChEMBL
kon	0.053 nM^-1 min^-1	DOI: http://dx.doi.org/10.6019/CHEMBL3885741	ChEMBL
kon	0.2 nM^-1 min^-1	DOI: http://dx.doi.org/10.6019/CHEMBL3885741	ChEMBL

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