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GPCR

Name	Delta-type opioid receptor
Species	Homo sapiens (Human)
Gene	OPRD1
Synonym	D-OR-1 DOR opioid receptor OP1 DOP DOPr DOR-1 Delta receptor [ Show all ]
Disease	Cough Overactive bladder disorder Bladder disease Moderate-to-severe pain Diarrhea-predominant IBS Major depressive disorder Urinary incontinence Rheumatoid arthritis Premature ejaculation Pain Acute migraine Ischemic heart diseases Acute nonspecific diarrhea; Chronic diarrhea associated with inflammatory bowel disease Alcohol use disorders Anxiety disorder [ Show all ]
Length	372
Amino acid sequence	MEPAPSAGAELQPPLFANASDAYPSACPSAGANASGPPGARSASSLALAIAITALYSAVCAVGLLGNVLVMFGIVRYTKMKTATNIYIFNLALADALATSTLPFQSAKYLMETWPFGELLCKAVLSIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPAKAKLINICIWVLASGVGVPIMVMAVTRPRDGAVVCMLQFPSPSWYWDTVTKICVFLFAFVVPILIITVCYGLMLLRLRSVRLLSGSKEKDRSLRRITRMVLVVVGAFVVCWAPIHIFVIVWTLVDIDRRDPLVVAALHLCIALGYANSSLNPVLYAFLDENFKRCFRQLCRKPCGRPDPSSFSRAREATARERVTACTPSDGPGGGAAA
UniProt	P41143
Protein Data Bank	4rwd, 4rwa, 4n6h
GPCR-HGmod model	P41143
3D structure model	This structure is from PDB ID 4rwd.
BioLiP	BL0303696,BL0303697, BL0265712, BL0265705,BL0265706,BL0265707,, BL0303699,BL0303701, BL0303698,BL0303700
Therapeutic Target Database	T58992
ChEMBL	CHEMBL236
IUPHAR	317
DrugBank	BE0000420

Ligand

Name	Norbinaltorphimine
Molecular formula	C40H43N3O6
IUPAC name	(1S,2S,7S,8S,12R,20R,24R,32R)-11,33-bis(cyclopropylmethyl)-19,25-dioxa-11,22,33-triazaundecacyclo[24.9.1.18,14.01,24.02,32.04,23.05,21.07,12.08,20.030,36.018,37]heptatriaconta-4(23),5(21),14(37),15,17,26,28,30(36)-octaene-2,7,17,27-tetrol
Molecular weight	661.799
Hydrogen bond acceptor	8
Hydrogen bond donor	5
XlogP	3.2
Synonyms	36OOQ86QM1 BDBM82551 GTPL1642 Nor-Binaltorphamine ta,10aalpha,11beta,14aS,19aalpha,20bbeta)]- (-)-norbinaltorphimine 4,8:11,15-Dimethano-20H-bisbenzofuro(2,3-a:3',2'-i)dipyrido(4,3-b:3',4'-h)carbazole-1,8a,10a,18-tetrol,7,12-bis(cyclopropylmethyl)-5,6,7,8,9,10,11,12,13,14,19a,20b-dodecahydro-20-methyl-, (8R-(4bR,8a CCG-204890 LS-62008 NOR-BNI (HCI)2 CHEMBL573214 NCGC00024547-04 PDSP2_001420 4,8:11,15-Dimethano-20H-bisbenzofuro(2,3-a:3',2'-i)dipyrido(4,3-b:3',4'-h)carbazole-1,8a,10a,18-tetrol, 7,12-bis(cyclopropylmethyl)-5,6,7,8,9,10,11,12,13,14,19a,20b-dodecahydro-, (4bS,8R,8aS,10aS,11R,14aS,19aR,20bR)- C18130 Lopac0_000806 nor-Binaltorphimine UNII-36OOQ86QM1 11,12,13,14,19a,20b-dodecahydro-, (4bS,8R,8aS,10aS,11R,14aS,19aR,20bR)- 4,8:11,15-Dimethano-20H-bisbenzofuro[2,3-a:3',2'-i]dipyrido[4,3-b:3',4'-h]carbazole-1,8a,10a,18-tetrol, 7,12-bis(cyclopropylmethyl)-5,6,7,8,9,10,11,12,13,14,19a,20b-dodecahydro-, (4bS,8R,8aS,10aS,11R, CHEBI:81529 NCGC00024547-02 17,17'-Bis(cyclopropylmethyl)-6,6',7,7'-tetradehydro-4,5alpha:4',5'alpha-diepoxy-6,6'-imino-7,7'-bi(morphinan)-3,3',14,14'-tetrol APSUXPSYBJVPPS-YAUKWVCOSA-N D05QJS NCGC00024547-06 SCHEMBL12013206 4,8:11,15-Dimethano-20H-bisbenzofuro(2,3-a:3',2'-i)dipyrido(4,3-b:3',4'-h)carbazole-1,8a,10a,18-tetrol, 7,12-bis(cyclopropylmethyl)-5,6,7,8,9,10,11,12,13,14,19a,20b-dodecahydro-20-methyl-, (8R-(4bR,8alpha,8abeta,10aalpha,11beta,14aR,19aalpha,20bbeta))- C40H43N3O6 lpha,8abeta,10aalpha,11beta,14aR,19aalpha,20bbeta))- 4,8:11,15-dimethano-20H-bisbenzofuro[2,3-a:3',2'-i]dipyrido[3,4-h:4',3'-b]carbazole-1,8a,10a,18-tetrol, 7,12-bis(cyclopropylmethyl)-5,6,7,8,9,10, Nor-bni ZINC3995590 14aS,19aR,20bR)- (9CI) 4,8:11,15-Dimethano-20H-bisbenzofuro[2,3-a:3',2'-i]dipyrido[4,3-b:3',4'-h]carbazole-1,8a,10a,18-tetrol, 7,12-bis(cyclopropylmethyl)-5,6,7,8,9,10,11,12,13,14,19a,20b-dodecahydro-, [8R-(4bS,8alpha,8abe NCGC00024547-03 NorBNI [ Show all ]
Inchi Key	APSUXPSYBJVPPS-YAUKWVCOSA-N
Inchi ID	InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
PubChem CID	5480230
ChEMBL	CHEMBL573214
IUPHAR	1642
BindingDB	82551
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Activity	220.0 %	PMID20568781	ChEMBL
EC50	4.4 nM	PMID12672258	BindingDB
EC50	4.42 Ke nM-1	PMID12672258	ChEMBL
EC50	380.0 nM	PMID20568781	BindingDB,ChEMBL
IC50	22.0 nM	PMID1335078	BindingDB,ChEMBL
IC50	24.0 nM	PMID20727752, PMID20719509	BindingDB,ChEMBL
Kb	14.1 nM	PMID21958337	ChEMBL
Ke	4.4 nM	PMID16366600, PMID12825951	ChEMBL
Ke	4.42 nM	PMID15456250, PMID12519069, PMID24973818, PMID14640558	ChEMBL
Ke	4.6 nM	PMID12723940, PMID12139463	ChEMBL
Ke	10.0 nM	PMID2838632	ChEMBL
Ke	10.14 nM	PMID12723940	ChEMBL
Ke	10.2 nM	PMID12825951	ChEMBL
Ke	12.1 nM	PMID12723940	ChEMBL
Ke	29.0 nM	PMID26342544, PMID20568781, PMID19954245, PMID23651437, PMID16509593, PMID17685652	ChEMBL
Ki	0.3 nM	PMID19683449	ChEMBL
Ki	0.3 nM	PMID19683449	BindingDB
Ki	0.8 nM	PMID19683449	ChEMBL
Ki	0.8 nM	PMID19683449	BindingDB
Ki	4.4 nM	PMID11055333	BindingDB
Ki	4.42 nM	PMID11055333	ChEMBL
Ki	5.07 nM	PMID24973818	ChEMBL
Ki	5.1 nM	PMID24973818	BindingDB
Ki	5.7 nM	PMID12519069, PMID9686407, PMID14640558, PMID12672258, PMID15456250, PMID11055333, PMID12825951	BindingDB,ChEMBL
Ki	6.30957 nM	PMID9686407	IUPHAR
Ki	6.56 nM	PMID21958337	ChEMBL
Ki	6.6 nM	PMID21958337	BindingDB
Ki	10.0 nM	PMID11495579, PMID12565965, PMID9857089	BindingDB
Ki	10.14 nM	PMID9857089	ChEMBL
Ki	10.2 nM	PMID11495579, PMID12565965	ChEMBL
Ki	12.0 nM	PMID11495579	BindingDB
Ki	12.1 nM	PMID11495579	ChEMBL
Ki	19.0 nM	PMID10893307	BindingDB,ChEMBL
Ki	19.5 nM	PMID12747782	ChEMBL
Ki	20.0 nM	PMID12747782	BindingDB
Ki	24.0 nM	PMID19027293	BindingDB,ChEMBL
Ki	39.0 nM	PMID1849995	BindingDB,ChEMBL
Ki	42.9 nM	PMID9857089	ChEMBL
Ki	43.0 nM	PMID8182708, PMID8380614, PMID9857089	BindingDB,ChEMBL
Ki	65.0 nM	PMID21744827, PMID8114680	BindingDB
Ki	65.2 nM	PMID21744827	ChEMBL