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GLASS

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GPCR

Name	Orexin receptor type 2
Species	Homo sapiens (Human)
Gene	HCRTR2
Synonym	Ox-2-R OX2 receptor Ox2-R OX2R orexin receptor type 2 Hypocretin receptor type 2 hypocretin receptor 2 hypocretin (orexin) receptor 2 [ Show all ]
Disease	Insomnia
Length	444
Amino acid sequence	MSGTKLEDSPPCRNWSSASELNETQEPFLNPTDYDDEEFLRYLWREYLHPKEYEWVLIAGYIIVFVVALIGNVLVCVAVWKNHHMRTVTNYFIVNLSLADVLVTITCLPATLVVDITETWFFGQSLCKVIPYLQTVSVSVSVLTLSCIALDRWYAICHPLMFKSTAKRARNSIVIIWIVSCIIMIPQAIVMECSTVFPGLANKTTLFTVCDERWGGEIYPKMYHICFFLVTYMAPLCLMVLAYLQIFRKLWCRQIPGTSSVVQRKWKPLQPVSQPRGPGQPTKSRMSAVAAEIKQIRARRKTARMLMIVLLVFAICYLPISILNVLKRVFGMFAHTEDRETVYAWFTFSHWLVYANSAANPIIYNFLSGKFREEFKAAFSCCCLGVHHRQEDRLTRGRTSTESRKSLTTQISNFDNISKLSEQVVLTSISTLPAANGAGPLQNW
UniProt	O43614
Protein Data Bank	5ws3, 5wqc, 4s0v, 4rnb
GPCR-HGmod model	O43614
3D structure model	This structure is from PDB ID 5ws3.
BioLiP	BL0303710, BL0398950, BL0397818, BL0302679
Therapeutic Target Database	T69485
ChEMBL	CHEMBL4792
IUPHAR	322
DrugBank	BE0005865

Ligand

Name	792173-99-0
Molecular formula	C17H13N5O2
IUPAC name	1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea
Molecular weight	319.324
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	2.0
Synonyms	BDBM50384416 CTK5E6591 HY-10895A QC-11750 SB-334867, >=98% (HPLC) SR-01000597554 249889-64-3 ACT06542 AKMNUCBQGHFICM-UHFFFAOYSA-N CHEBI:92733 EX-8460 KS-00001CTT SB-334,867 SB334867 Tocris-1960 1-(2-Methyl-benzooxazol-6-yl)-3-[1,5]naphthyridin-4-yl-urea BC280348 CM-2153 GTPL1703 N-(2-methyl-6-benzoxazolyl)-N'-1,5-naphthyridin-4-yl-Urea SB-334867 free base SB334867A ZB000673 1-(2-methylbenzo[d]oxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea AC1O7H28 BN0630 D0UZ4J I06-2256 s7585 SB-334867A SR-01000597554-1 3013AH AJ-08317 AKOS005146031 EX-A444 MolPort-003-983-831 SB-334867 SB334867 free base Urea,N-(2-methyl-6-benzoxazolyl)-N'-1,5-naphthyridin-4-yl- 1-(2-methylbenzoxazole-6-yl)-3-[1,5]naphthyridine-4-yl urea BCP28004 CS-2748 HMS3268O14 NCGC00025327-01 SB-334867(freebase) SCHEMBL496853 ZINC8794 ACM249889643 BRD-K41567364-001-01-2 DB-025472 KB-309133 SB 334867 SB19535 TC-063044 1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea 4CA-1139 AK-31955 AX8141048 CHEMBL291536 FT-0704742 N-(2-METHYL-6-BENZOXAZOLYL)-N'-1,5-NAPHTHYRIDIN-4-YL UREA SB-334867 (free base) SB334867/SB-334867 Urea,N-(2-methyl-6-benzoxazolyl)-N'-1,5-naphthyridin-4-yl-, hydrochloride (1:1) 1-(2-Methylbenzo[d]oxazol-6-yl)-1-(1,5-naphthyridin-4-yl)urea A15814 [ Show all ]
Inchi Key	AKMNUCBQGHFICM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H13N5O2/c1-10-20-12-5-4-11(9-15(12)24-10)21-17(23)22-14-6-8-18-13-3-2-7-19-16(13)14/h2-9H,1H3,(H2,18,21,22,23)
PubChem CID	6604926
ChEMBL	CHEMBL291536
IUPHAR	1703
BindingDB	50384416
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ke	1194.0 nM	PMID21478014	ChEMBL
Ki	501.187 - 6309.58 nM	PMID11459658, PMID19542319	IUPHAR
Ki	835.0 nM	PMID27818110	BindingDB,ChEMBL
Ki	1704.0 nM	PMID23891187	BindingDB
pKb	5.7 -	PMID11459658	ChEMBL

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