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GLASS

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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	CHEMBL1834415
Molecular formula	C29H40ClNO4
IUPAC name	(1S,2S,6R,14R,15R,16R)-9-chloro-5-(cyclopropylmethyl)-16-[(2R)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8,10,12(20)-trien-11-ol
Molecular weight	502.092
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	5.6
Synonyms	BDBM50354576
Inchi Key	ARMVYVANYSKLSH-LDFHUFRKSA-N
Inchi ID	InChI=1S/C29H40ClNO4/c1-25(2,3)26(4,33)20-14-27-8-9-29(20,34-5)24-28(27)10-11-31(15-16-6-7-16)21(27)12-17-18(30)13-19(32)23(35-24)22(17)28/h13,16,20-21,24,32-33H,6-12,14-15H2,1-5H3/t20-,21-,24-,26-,27-,28+,29-/m1/s1
PubChem CID	56661555
ChEMBL	CHEMBL1834415
IUPHAR	N/A
BindingDB	50354576
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Activity	0.0 %	PMID21866885	ChEMBL
Ki	17.0 nM	PMID21866885	BindingDB
Ki	17.2 nM	PMID21866885	ChEMBL

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