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GPCR

Name	Adhesion G-protein coupled receptor D1
Species	Homo sapiens (Human)
Gene	ADGRD1
Synonym	ADGRD1 G-protein coupled receptor 133 G-protein coupled receptor PGR25 GPR133 (G protein-coupled receptor 133)
Disease	N/A
Length	874
Amino acid sequence	MEKLLRLCCWYSWLLLFYYNFQVRGVYSRSQDHPGFQVLASASHYWPLENVDGIHELQDTTGDIVEGKVNKGIYLKEEKGVTLLYYGRYNSSCISKPEQCGPEGVTFSFFWKTQGEQSRPIPSAYGGQVISNGFKVCSSGGRGSVELYTRDNSMTWEASFSPPGPYWTHVLFTWKSKEGLKVYVNGTLSTSDPSGKVSRDYGESNVNLVIGSEQDQAKCYENGAFDEFIIWERALTPDEIAMYFTAAIGKHALLSSTLPSLFMTSTASPVMPTDAYHPIITNLTEERKTFQSPGVILSYLQNVSLSLPSKSLSEQTALNLTKTFLKAVGEILLLPGWIALSEDSAVVLSLIDTIDTVMGHVSSNLHGSTPQVTVEGSSAMAEFSVAKILPKTVNSSHYRFPAHGQSFIQIPHEAFHRHAWSTVVGLLYHSMHYYLNNIWPAHTKIAEAMHHQDCLLFATSHLISLEVSPPPTLSQNLSGSPLITVHLKHRLTRKQHSEATNSSNRVFVYCAFLDFSSGEGVWSNHGCALTRGNLTYSVCRCTHLTNFAILMQVVPLELARGHQVALSSISYVGCSLSVLCLVATLVTFAVLSSVSTIRNQRYHIHANLSFAVLVAQVLLLISFRLEPGTTPCQVMAVLLHYFFLSAFAWMLVEGLHLYSMVIKVFGSEDSKHRYYYGMGWGFPLLICIISLSFAMDSYGTSNNCWLSLASGAIWAFVAPALFVIVVNIGILIAVTRVISQISADNYKIHGDPSAFKLTAKAVAVLLPILGTSWVFGVLAVNGCAVVFQYMFATLNSLQGLFIFLFHCLLNSEVRAAFKHKTKVWSLTSSSARTSNAKPFHSDLMNGTRPGMASTKLSPWDKSSHSAHRVDLSAV
UniProt	Q6QNK2
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	N/A
IUPHAR	N/A
DrugBank	BE0005510

Ligand

Name	GESTODENE
Molecular formula	C21H26O2
IUPAC name	(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-3-one
Molecular weight	310.437
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	2.9
Synonyms	NCGC00164611-01 SH B 3331 UNII-1664P6E6MI 13-Ethyl-17-hydroxy-18,19-dinor-17alpha-pregna-4,15-dien-20-yn-3-one 18,19-Dinorpregna-4,15-dien-20-yn-3-one, 13-ethyl-17-hydroxy-, (17-alpha)- AC1MHWNV C-19235 G0404 Gestodeno Gestodenum [INN-Latin] Q-101426 SHT-546 (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,13,14,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one 17-alpha-ethinyl-13-ethyl-17 beta-hydroxy-4,15-gonadien-3-one A832668 AKOS024462671 CCRIS 9189 DSSTox_GSID_46478 LS-62068 SCHEMBL37271 Tox21_112232 110541-55-4 17alpha-ethynyl-17beta-hydroxy-18-methyl-4,15-estradien-3-one AB2000072 BRD-K97197005-001-03-2 CS-1862 EINECS 262-145-8 Gestodene, >=98% (HPLC) NCGC00263565-01 SH-546 ZINC238809420 13beta-Ethyl-17beta-hydroxy-18,19-dinorpregna-4,15-dien-20-yn-3-one 282G873 AJ-45699 CAS-60282-87-3 DB06730 Gestinol Gestodeno [INN-Spanish] HSDB 3594 s1376 SIGSPDASOTUPFS-XUDSTZEESA-N (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-3-one 17-alpha-Ethinyl-13-ethyl-17-beta-hydroxy-4,15-gonadien-3-one AB01274782-01 AS-13029 CHEBI:135323 DSSTox_RID_81649 Gestodene (USAN/INN) MolPort-005-938-422 SH B 331 Tox21_112232_1 13-ethyl-17-hydroxy-18,19-dinor-17 alpha-pregna-4,15-dien-20-yn-3-one 17alpha-ethynyl-17beta-hydroxy-18-methyl-estra-4,15-dien-3-one AC-20038 BRN 4237181 D04316 FT-0082507 Gestodene, European Pharmacopoeia (EP) Reference Standard Pregna-4,15-dien-20-yn-3-one, 13-ethyl-17-hydroxy-18,19-dinor-, (17alpha)- SHB-331 (1S,2R,10R,11S,14R,15S)-15-ethyl-14-ethynyl-14-hydroxytetracyclo[8.7.0.0;{2,7}.0;{11,15}]heptadeca-6,12-dien-5-one 1664P6E6MI 60282-87-3 AK161682 CC-28967 DSSTox_CID_26478 Gestoden Gestodenum HY-B0110 SC-27288 ST24047328 (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-oxidanyl-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-3-one 17alpha -Ethynyl-17beta-hydroxy-18-methyl-4,15-estradien-3-one AB01274782_02 BCP22665 CHEMBL1213583 DTXSID6046478 Gestodene [USAN:INN:BAN] [ Show all ]
Inchi Key	SIGSPDASOTUPFS-XUDSTZEESA-N
Inchi ID	InChI=1S/C21H26O2/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/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1
PubChem CID	3033968
ChEMBL	N/A
IUPHAR	N/A
BindingDB	N/A
DrugBank	DB06730
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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