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GPCR

Name	Kappa-type opioid receptor
Species	Homo sapiens (Human)
Gene	OPRK1
Synonym	K-OR-1 KOPr OP2 KOP KOR-1 Kappa receptor [ Show all ]
Disease	Obesity Opiate dependence Inflammatory bowel disease Erythema Diarrhea-predominant IBS Unspecified Bipolar disorder Alcohol use disorders Pain Substance dependence Neurodegenerative disease [ Show all ]
Length	380
Amino acid sequence	MDSPIQIFRGEPGPTCAPSACLPPNSSAWFPGWAEPDSNGSAGSEDAQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLSSSVGISAIVLGGTKVREDVDVIECSLQFPDDDYSWWDLFMKICVFIFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITRLVLVVVAVFVVCWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPILYAFLDENFKRCFRDFCFPLKMRMERQSTSRVRNTVQDPAYLRDIDGMNKPV
UniProt	P41145
Protein Data Bank	6b73, 4djh
GPCR-HGmod model	P41145
3D structure model	This structure is from PDB ID 6b73.
BioLiP	BL0402244,BL0402246, BL0224693,BL0224694, BL0402243,BL0402245
Therapeutic Target Database	T60693
ChEMBL	CHEMBL237
IUPHAR	318
DrugBank	BE0000632

Ligand

Name	DPDPE
Molecular formula	C30H39N5O7S2
IUPAC name	(4S,7S,13S)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid
Molecular weight	645.79
Hydrogen bond acceptor	10
Hydrogen bond donor	7
XlogP	-0.6
Synonyms	(4S,7S,13S)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid Bis-penicillamine-enkephalin Cyclic(D-penicillamine2,5)enkephalin D-Valine, L-tyrosyl-3-mercapto-D-valylglycyl-L-phenylalanyl-3-mercapto-, cyclic (2>5)-disulfide (9CI) Enkephalin, pen(2,5)- LS-161341 [D-Pen(2)-D-Pen(5)]-enkephaline (D-Pen2,D-Pen5)-Enkephalin 88381-29-7 D-Penicillamine (2,5)-Enkephalin Dpdpe(SH)2 GTPL1608 SCHEMBL727022 [D-Pen2,5]-Enkephalin hydrate, >=95% (HPLC) (4S,7S,13S)-13-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid BDBM21008 Cyclic DPDPE D-Valine, L-tyrosyl-3-mercapto-D-valylglycyl-L-phenylalanyl-3- mercapto-, cyclic (2-5)-disulfide DPLPE H-Tyr-D-Pen-Gly-Phe-D-Pen-OH [2-D-Penicillamine, 5-D-penicillamine]enkephalin (4s,7s,13s)-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-13-(l-tyrosylamino)-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid 88373-72-2 C20164 cyclo-[D-Pen(2,5)]-enkephalin D0G4NM Enkephalin, penicillamine(2,5)- LY 198572 [D-Pen2, D-Pen5]enkephalin 1,2-Dithia-5,8,11-triazacyclotetradecane, cyclic peptide deriv. AC1L2XHZ CHEMBL31421 D-penicillamine-(2,5)-enkephalin DPDPE-Cl H-Tyr-c(D-Pen-Gly-Phe-D-Pen)-OH Tyr-D-Pen-Gly-Phe-D-Pen [Disulfide Bridge: 2-5] [D-Pen2,5]Enkephalin (4S,7S,13S)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3,3,14,14-tetramethyl-6,9,12-trioxo-7-(phenylmethyl)-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid 2,5-Pen-enkephalin Bis-pen-enkephalin Cyclic [D-Pen2, D-Pen5]enkephalin D-Valine, L-tyrosyl-3-mercapto-D-valylglycyl-L-phenylalanyl-3-mercapto-, cyclic (2-5)-disulfide Enkephalin, D-penicillamine (2,5)- L-tyrosyl-3-mercapto-D-valylglycyl-L-phenylalanyl-3-mercapto-D-valine, cyclic (2-5)-disulfide [3H]DPDPE (D-Pen(2),D-pen(5))enkephalin 88373-73-3 CHEBI:73356 c[D-Pen(2,5)]-enkephalin Enkephalin, [Tyrosyl-2,6-3H(N)]- (2-D-Penicillamine, 5-D-Penicillamine) Pen(2),pen(5)-enkephalin [D-Pen2,5]-Enkephalin hydrate (4S,7S,13S)-13-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid 1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid, 13-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3,3,14,14-tetramethyl-6,9,12-trioxo-7-(phenylmethyl)-, (4S,7S,13S)- AC1Q5JTC CTK8E0439 D-Valine, 3-mercapto-N-(N-(N-(3-mercapto-N-L-tyrosyl-D-valyl)glycyl)-L-phenylalanyl)- DPDPE-OH H-Tyr-cyclo-(D-Pen-Gly-Phe-D-Pen)-OH ZINC29206920 [ Show all ]
Inchi Key	MCMMCRYPQBNCPH-WMIMKTLMSA-N
Inchi ID	InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21-,23-,24-/m0/s1
PubChem CID	104787
ChEMBL	CHEMBL31421
IUPHAR	1608
BindingDB	21008
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
Ki	<10000.0 nM	PMID17350835, PMID9686407	BindingDB,ChEMBL
Ki	1000.0 nM	PMID7932177, PMID8114680	BindingDB

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