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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	122507-47-5
Molecular formula	C30H38ClN5O7S2
IUPAC name	(4S,7S,13S)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-7-[(4-chlorophenyl)methyl]-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid
Molecular weight	680.232
Hydrogen bond acceptor	10
Hydrogen bond donor	7
XlogP	0.0
Synonyms	(D-PEN2,P-CHLORO-PHE4,D-PEN5)-ENKEPHALIN C-54324 Enkephalin, D-pen(2), D-pen(5), p-Cl-phe(4) (4S,7S,13S)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-7-[(4-chlorophenyl)methyl]-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid 2,5-Penicillamine-4-(4-chlorophenylalanine)-enkephalin CTK4B3138 FT-0771979 (D-Pen2,5, pCl-Phe4)enkephalin AC1Q3NI5 Dpdp(Cl)E [pCl-Phe4]-DPDPE (4S,7S,13S)-13-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-7-(4-chlorobenzyl)-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid Enkephalin, pen(2,5)-4-chloro-phe(4)- (4s,7s,13s)-7-(4-chlorobenzyl)-3,3,14,14-tetramethyl-6,9,12-trioxo-13-(l-tyrosylamino)-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid D-Valine, L-tyrosyl-3-mercapto-D-valylglycyl-4-chloro-L-phenylalanyl-3-mercapto-, cyclic (2-5)-disulfide ZINC3935152 (D-Pen2,5,P-Cl-phe4)-enkephalin BDBM50068133 DTXSID30153634 (4S,7S,13S)-13-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7-(4-chloro-benzyl)-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triaza-cyclotetradecane-4-carboxylic acid 2,5-Pen-4-(4-chloro-phe)-enkephalin CHEMBL143939 Enkephalin, penicillamine(2,5)-4-chlorophenylalanine(4)- (D-Pen(2)-pcl-phe(4)-D-pen(5))enkephalin AC1L4M1R D-Valine,L-tyrosyl-3-mercapto-D-valylglycyl-4-chloro-L-phenylalanyl-3-mercapto-, cyclic(2®5)-disulfide [D-Pen2,5, p-Cl-Phe4]-Enkephalin [ Show all ]
Inchi Key	VTVUYFFDQHWCTJ-WMIMKTLMSA-N
Inchi ID	InChI=1S/C30H38ClN5O7S2/c1-29(2)23(35-25(39)20(32)13-16-7-11-19(37)12-8-16)27(41)33-15-22(38)34-21(14-17-5-9-18(31)10-6-17)26(40)36-24(28(42)43)30(3,4)45-44-29/h5-12,20-21,23-24,37H,13-15,32H2,1-4H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t20-,21-,23-,24-/m0/s1
PubChem CID	159564
ChEMBL	CHEMBL143939
IUPHAR	N/A
BindingDB	50068133
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	1.5 nM	PMID9822547	BindingDB
IC50	1.53 nM	PMID9822547	ChEMBL
IC50	1.55 nM	PMID9822547	ChEMBL
IC50	1.6 nM	PMID9822547	BindingDB
Ki	0.3 nM	PMID16777416	BindingDB
Ki	0.3 nM	PMID16777416	ChEMBL

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