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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	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	BDBM50370067 EJ4 SCHEMBL12013202 17-Cyclopropylmethyl-6,7-dehydro-4,5-epoxy-3,14-dihydroxy-6,7,2',3'-indolomorphinan 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 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 111555-53-4 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 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 (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 [ 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
Activity	0.0 -	PMID17367120	ChEMBL
Kd	0.037 nM	PMID1313133	IUPHAR
Ke	0.632 nM	PMID8230106	ChEMBL
Ke	0.636 nM	PMID8230106	ChEMBL
Ke	0.85 nM	PMID8230106	ChEMBL
Ki	0.0072 nM	PMID8126697	ChEMBL
Ki	0.04 nM	PMID11078198	ChEMBL
Ki	0.062 nM	PMID10617086	ChEMBL
Ki	0.09 nM	Bioorg. Med. Chem. Lett., (1997) 7:2:151	ChEMBL
Ki	0.182 nM	PMID8230106	ChEMBL
Ki	0.2 nM	PMID19595591	ChEMBL
Ki	0.217 nM	PMID9871544	ChEMBL
Ki	0.2188 nM	PMID15743203	ChEMBL
Ki	0.22 nM	PMID15743203, PMID10617086, PMID10229636, PMID18403056	BindingDB,ChEMBL
Ki	0.24 nM	PMID9667975	ChEMBL
Ki	0.29 nM	PMID9667975, PMID22197670, PMID19362480	ChEMBL
Ki	0.33 nM	Bioorg. Med. Chem. Lett., (1997) 7:2:151	ChEMBL
Ki	0.41 nM	PMID12565965, PMID10479286	ChEMBL
Ki	0.81 nM	PMID12431065	ChEMBL
Ki	1.6 nM	PMID14998329	ChEMBL
Ki	12.3 nM	PMID9667975	ChEMBL
Potency	13.9 -	PMID8230106	ChEMBL