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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	Naltrindole
Molecular formula	C26H26N2O3
IUPAC name	(1S,2S,13R,21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaene-2,16-diol
Molecular weight	414.505
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	3.3
Synonyms	C18128 G167Z38QA4 UNII-G167Z38QA4 4,8-methanobenzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diol, 7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-, (4bS,8R,8aS,14bR)- HMS2089E12 [3H]-naltrindole D0M2EX NTI 4,8-Methanobenzofuro(2,3-a)pyrido(4,3-b)carbazole-1,8a(9H)-diol, 7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-, (4bS,8R,8aS,14bR)- CHEBI:81528 GTPL1641 WIYUZYBFCWCCQJ-IFKAHUTRSA-N (4bs,8r,8as,14br)-7-(Cyclopropylmethyl)-5,6,7,8,14,14b-Hexahydro-4,8-Methano[1]benzofuro[2,3-A]pyrido[4,3-B]carbazole-1,8a(9h)-Diol 4,8-Methanobenzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diol, 7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-, (4bS,8R,8aS,14bR)- (9CI) CHEMBL567175 [3H]naltrindole 17-Cyclopropylmethyl-6,7-dehydro-4,5-epoxy-3,14-dihydroxy-6,7,2',3'-indolomorphinan BDBM50370067 EJ4 SCHEMBL12013202 4,8-Methanobenzofuro(2,3-a)pyrido(4,3-b)carbazole-1,8a(9H)-diol, 7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-, (8R-(4bS,8alpha,8abeta,14bbeta))- CHEMBL1237164 GTPL3829 ZINC3802871 111555-53-4 4,8-Methanobenzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diol, 7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-, [8R-(4bS,8alpha,8abeta,14bbeta)]- D08IXN NIH 10589 [ Show all ]
Inchi Key	WIYUZYBFCWCCQJ-IFKAHUTRSA-N
Inchi ID	InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1
PubChem CID	5497186
ChEMBL	CHEMBL567175
IUPHAR	3829, 1641
BindingDB	50370067
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	459000.0 nM	PMID8021929	ChEMBL
IC50 ratio	152.0 -	PMID2160538, PMID9651172	ChEMBL
IC50 ratio	459.0 -	PMID7853332, PMID8380614	ChEMBL
IC50 ratio	2000.0 -	PMID10479286	ChEMBL
Kd	0.631 nM	PMID16335927	ChEMBL
Ke	0.13 -	PMID1851846	ChEMBL
Ke	0.13 nM	PMID9207938, PMID2160538, PMID1648136, PMID8126697, PMID9836606	ChEMBL
Ke	0.18 nM	Bioorg. Med. Chem. Lett., (1997) 7:2:151	ChEMBL
Ke	0.2 nM	PMID7853332	ChEMBL
Ke	0.21 nM	PMID2828619	ChEMBL
Ke	0.49 nM	PMID9667975, PMID10479286	ChEMBL
Ke	0.53 nM	PMID14998329, PMID12565965	ChEMBL
Ke	0.65 nM	PMID7562933	ChEMBL
Ke	0.67 nM	PMID7562933	ChEMBL
Ke	0.94 nM	PMID7562933	ChEMBL
Ki	0.0199526 nM	PMID8114680	IUPHAR
Ki	0.03 nM	PMID11311071	BindingDB
Ki	0.04 nM	PMID9207938	ChEMBL
Ki	0.15 nM	PMID17402725	ChEMBL
Ki	0.17 nM	PMID22967810	ChEMBL
Ki	0.19 nM	PMID11300867	ChEMBL
Ki	0.22 nM	PMID11311071	BindingDB
Ki	0.5 nM	PMID9379438	ChEMBL
Ki	1.82 nM	PMID11300867	ChEMBL
Ki	2.63 nM	PMID23585918	BindingDB
pA2	9.2 nM	PMID9301674	ChEMBL
Ratio	459.0 -	PMID8021928	ChEMBL
Ratio	2000.0 -	PMID9667975	ChEMBL
Response	16.0 %	PMID14998329	ChEMBL
Response	18.0 %	PMID14998329	ChEMBL