Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●DMFold ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

GPCR

Name	Delta-type opioid receptor
Species	Rattus norvegicus (Rat)
Gene	Oprd1
Synonym	opioid receptor OP1 DOR-1 DOR DOPr DOP delta receptor D-OR-1 Opioid receptor A [ Show all ]
Disease	N/A for non-human GPCRs
Length	372
Amino acid sequence	MEPVPSARAELQFSLLANVSDTFPSAFPSASANASGSPGARSASSLALAIAITALYSAVCAVGLLGNVLVMFGIVRYTKLKTATNIYIFNLALADALATSTLPFQSAKYLMETWPFGELLCKAVLSIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPAKAKLINICIWVLASGVGVPIMVMAVTQPRDGAVVCTLQFPSPSWYWDTVTKICVFLFAFVVPILIITVCYGLMLLRLRSVRLLSGSKEKDRSLRRITRMVLVVVGAFVVCWAPIHIFVIVWTLVDINRRDPLVVAALHLCIALGYANSSLNPVLYAFLDENFKRCFRQLCRAPCGGQEPGSLRRPRQATARERVTACTPSDGPGGGAAA
UniProt	P33533
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	CHEMBL269
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	B5649 Deltorphin C LS-72216 (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 DTXSID10153692 Tyr-d-Ala-Phe-Asp-Val-Val-Gly-NH(2) CHEMBL317956 HY-P1336 ZINC95610551 BDBM50001468 MolPort-016-581-002 122752-15-2 CHEBI:81500 FT-0700737 Tyr-D-Ala-Phe-Asp-Val-Val-Gly-NH2 AKOS024458238 CS-0029459 J-004850 (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 DELTORPHINI NCGC00167304-01 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 H-Tyr-D-Ala-Phe-Asp-Val-Val-Gly-NH2 Tyr-D-Ala-Phe-Asp-Val-Val-GlyNH2 [ 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
Activity	0.59 -	PMID17367120	ChEMBL
Activity	81.0 nM	PMID17367120	ChEMBL
IC50	0.08 nM	PMID19435668	ChEMBL
IC50	0.54 nM	PMID9301674	BindingDB,ChEMBL
IC50	0.56 nM	PMID18207400	ChEMBL
IC50	0.56 nM	PMID18207400	BindingDB
IC50	0.6 nM	PMID8289187, Bioorg. Med. Chem. Lett., (1992) 2:6:547	ChEMBL
IC50	0.6 nM	PMID8289187,	BindingDB
IC50	0.73 nM	PMID8289187	ChEMBL
Ki	0.0026 nM	PMID11958984	BindingDB
Ki	0.0026 nM	PMID11958984	ChEMBL
Ki	0.15 nM	PMID9258365	BindingDB
Ki	0.15 nM	PMID9258365, PMID9288177, PMID8576920	BindingDB,ChEMBL
Ki	0.21 nM	PMID1849997	BindingDB
Ki	0.21 nM	PMID1849997, PMID11806723	ChEMBL
Ki	0.24 nM	PMID16366592, PMID1335080	BindingDB,ChEMBL
Ki	0.31 nM	PMID8254604	BindingDB,ChEMBL
Ki	0.73 nM	PMID15863298	BindingDB,ChEMBL
Ki	1.44 nM	PMID1331451	BindingDB,ChEMBL
Ki	6.4 nM	PMID8230106	BindingDB
Ki	6.43 nM	PMID8230106	ChEMBL
Potency	0.393 -	PMID8230106	ChEMBL
Relative potency	1.76 -	PMID1331451	ChEMBL