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SummaryStructural detailsExperimental detailsFunctional detailsSequence NeighborHistoryDownloads

6V9S

Structure-based development of subtype-selective orexin 1 receptor antagonists

Entity
Entity IDChain IDDescriptionTypeChain lengthFormula weightNumber of moleculesDB Name (Accession)Biological sourceDescriptive keywords
1A
(A)		Orexin receptor type 1,GlgA glycogen synthase chimerapolymer55362743.11UniProt (O43613)
UniProt (Q9V2J8)
Pfam (PF00001)		Homo sapiens (Human)Ox1R,Hypocretin receptor type 1,Glycogen synthase
2B
(A)		[(2S)-2-[(2S)-butan-2-yl]-4-(5-chloro-1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanonenon-polymer493.01Chemie (JHC)
PubChem (146675152)
PubChem (168317601)
3C
(A)		CHOLESTEROLnon-polymer386.71Chemie (CLR)
PubChem (304)
PubChem (191463)
PubChem (368063)
PubChem (369319)
PubChem (638019)
PubChem (1549081)
PubChem (1553803)
PubChem (5283629)
PubChem (5284644)
PubChem (5315842)
PubChem (6419195)
PubChem (6994560)
PubChem (7055705)
PubChem (7055706)
PubChem (7059398)
PubChem (7059400)
PubChem (7059635)
PubChem (7103033)
PubChem (7182477)
PubChem (7182478)
PubChem (9909206)
PubChem (10045721)
PubChem (71168115)
PubChem (10134774)
PubChem (10293553)
PubChem (71173031)
PubChem (11003580)
PubChem (11025495)
PubChem (11058155)
PubChem (11463329)
PubChem (11868624)
PubChem (11868625)
PubChem (11869366)
PubChem (11869367)
PubChem (11869368)
PubChem (11869369)
PubChem (12120344)
PubChem (12156156)
PubChem (12303135)
PubChem (12303148)
PubChem (12303156)
PubChem (12303159)
PubChem (12303160)
PubChem (16219173)
PubChem (16758052)
PubChem (40477506)
PubChem (40557614)
PubChem (42579431)
PubChem (42579432)
PubChem (176980071)
PubChem (45044259)
PubChem (18640088)
PubChem (1715243)
PubChem (1715244)
PubChem (23423981)
PubChem (49853509)
PubChem (44654663)
PubChem (46937002)
PubChem (59274407)
PubChem (50990013)
PubChem (68311425)
PubChem (68311398)
PubChem (143173313)
PubChem (177156123)
PubChem (5997)
PubChem (1551269)
PubChem (90070115)
PubChem (52934537)
PubChem (117965027)
PubChem (6432564)
PubChem (6710666)
PubChem (124146240)
PubChem (56621683)
PubChem (7059399)
PubChem (124897607)
PubChem (124896959)
PubChem (10861996)
PubChem (132837164)
PubChem (11834483)
PubChem (11888915)
PubChem (11888914)
PubChem (57915018)
PubChem (57939063)
PubChem (138967089)
PubChem (58428240)
PubChem (58445498)
PubChem (139566851)
PubChem (58663286)
PubChem (15939944)
PubChem (59450329)
PubChem (59628412)
PubChem (171828367)
PubChem (173516975)
PubChem (59965215)
PubChem (71234641)
PubChem (59993755)
PubChem (60001463)
PubChem (66634651)
PubChem (68055877)
PubChem (68166463)
PubChem (68315613)
PubChem (70795838)
PubChem (70797612)
PubChem (70954610)
PubChem (70957185)
PubChem (71463909)
PubChem (89951918)
PubChem (90224410)
PubChem (91298236)
PubChem (101624109)
PubChem (124225449)
PubChem (124429284)
PubChem (124909223)
PubChem (124909224)
PubChem (124909225)
PubChem (130459183)
PubChem (131992107)
PubChem (139568882)
PubChem (142983773)
PubChem (144054483)
PubChem (144209461)
PubChem (144331236)
PubChem (144808354)
PubChem (145053568)
PubChem (145157652)
PubChem (145215073)
PubChem (145230478)
PubChem (146320991)
PubChem (147857230)
PubChem (154993519)
PubChem (158603858)
PubChem (162906452)
PubChem (162906453)
PubChem (162906454)
PubChem (162906455)
PubChem (162906456)
PubChem (162906457)
PubChem (163255768)
PubChem (163389210)
PubChem (164665303)
PubChem (166553771)
PubChem (166712004)
PubChem (170116175)
PubChem (171764280)
PubChem (171817101)
PubChem (171817104)
PubChem (174285573)
4D
(A)		OLEIC ACIDnon-polymer282.51Chemie (OLA)
PubChem (965)
PubChem (445639)
PubChem (637517)
Sequence modifications
A: 1 - 246 (UniProt: O43613)
PDBExternal DatabaseDetails
Asp -7-expression tag
Tyr -6-expression tag
Lys -5-expression tag
Asp -4-expression tag
Asp -3-expression tag
Asp -2-expression tag
Asp -1-expression tag
Ala 0-expression tag
Lys 133Ala 133conflict
A: 1001 - 1196 (UniProt: Q9V2J8)
A: 288 - 380 (UniProt: O43613)
PDBExternal DatabaseDetails
Ile 319Val 319conflict
His 381-expression tag
His 382-expression tag
His 383-expression tag
His 384-expression tag
His 385-expression tag
His 386-expression tag
His 387-expression tag
His 388-expression tag
His 389-expression tag
His 390-expression tag
Sequence viewer
Contents of the asymmetric unit
PolymersNumber of chains1
Total formula weight62743.1
Non-Polymers*Number of molecules3
Total formula weight1162.1
All*Total formula weight63905.2
*Water molecules are not included.

251801

PDB entries from 2026-04-08

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