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GPCR

Name	Delta-type opioid receptor
Species	Mus musculus (Mouse)
Gene	Oprd1
Synonym	OP1 MSL-2 K56 DOR-1 DOR DOPr DOP Delta receptor D-OR-1 opioid receptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	372
Amino acid sequence	MELVPSARAELQSSPLVNLSDAFPSAFPSAGANASGSPGARSASSLALAIAITALYSAVCAVGLLGNVLVMFGIVRYTKLKTATNIYIFNLALADALATSTLPFQSAKYLMETWPFGELLCKAVLSIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPAKAKLINICIWVLASGVGVPIMVMAVTQPRDGAVVCMLQFPSPSWYWDTVTKICVFLFAFVVPILIITVCYGLMLLRLRSVRLLSGSKEKDRSLRRITRMVLVVVGAFVVCWAPIHIFVIVWTLVDINRRDPLVVAALHLCIALGYANSSLNPVLYAFLDENFKRCFRQLCRTPCGRQEPGSLRRPRQATTRERVTACTPSDGPGGGAAA
UniProt	P32300
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3222
IUPHAR	317
DrugBank	N/A

Ligand

Name	Deltorphin I
Molecular formula	C37H52N8O10
IUPAC name	(3S)-3-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
Molecular weight	768.869
Hydrogen bond acceptor	11
Hydrogen bond donor	10
XlogP	-1.7
Synonyms	MolPort-016-581-002 BDBM50001468 FT-0700737 Tyr-D-Ala-Phe-Asp-Val-Val-Gly-NH2 122752-15-2 CHEBI:81500 J-004850 AKOS024458238 CS-0029459 DELTORPHINI NCGC00167304-01 (S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-phenyl-propionylamino)-N-{(S)-1-[(S)-1-(carbamoylmethyl-carbamoyl)-2-methyl-propylcarbamoyl]-2-methyl-propyl}-succinamic acid C-54171 H-Tyr-D-Ala-Phe-Asp-Val-Val-Gly-NH2 Tyr-D-Ala-Phe-Asp-Val-Val-GlyNH2 3-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-phenyl-propionylamino)-N-{1-[1-(carbamoylmethyl-carbamoyl)-2-methyl-propylcarbamoyl]-2-methyl-propyl}-succinamic acid LS-72216 B5649 Deltorphin C DTXSID10153692 Tyr-d-Ala-Phe-Asp-Val-Val-Gly-NH(2) (S)-4-((S)-1-((S)-1-(2-amino-2-oxoethylamino)-3-methyl-1-oxobutan-2-ylamino)-3-methyl-1-oxobutan-2-ylamino)-3-((S)-2-((R)-2-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)propanamido)-3-phenylpropanamido)-4-oxobutanoic acid C18097 HY-P1336 ZINC95610551 CHEMBL317956 [ Show all ]
Inchi Key	CJAORFIPPWIGPG-QXYJMILXSA-N
Inchi ID	InChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1
PubChem CID	10055958
ChEMBL	CHEMBL317956
IUPHAR	N/A
BindingDB	50001468
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	12.59 nM	PMID11806723	ChEMBL
IC50	0.11 nM	Bioorg. Med. Chem. Lett., (1992) 2:6:547	ChEMBL
IC50	0.11 nM	N/A	BindingDB
IC50	0.147 nM	PMID1331451	BindingDB
IC50	0.147 nM	PMID1331451	ChEMBL
IC50	0.16 nM	PMID8289188	ChEMBL
IC50	0.16 nM	PMID8289188	BindingDB
IC50	0.17 nM	PMID16366592	BindingDB,ChEMBL
IC50	0.36 nM	PMID8289187	ChEMBL
IC50	0.36 nM	PMID8289187	BindingDB
IC50	0.371 nM	PMID16942034	ChEMBL
IC50	0.46 nM	PMID9258365	BindingDB
IC50	0.46 nM	PMID9258365, PMID8576920	BindingDB,ChEMBL
IC50	0.582 nM	PMID11958984	BindingDB
IC50	0.582 nM	PMID11958984	ChEMBL
IC50	0.67 nM	PMID8289187	ChEMBL
IC50	0.85 nM	PMID9057856	ChEMBL
IC50	0.85 nM	PMID9057856	BindingDB
Ki	0.8 nM	PMID9986710	BindingDB,ChEMBL
Relative potency	77.6 -	PMID1331451	ChEMBL