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GPCR

Name	Mu-type opioid receptor
Species	Cavia porcellus (Guinea pig)
Gene	OPRM1
Synonym	M-OR-1 MOR-1
Disease	N/A for non-human GPCRs
Length	98
Amino acid sequence	YTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKTVNVCNWI
UniProt	P97266
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	CHEMBL4354
IUPHAR	N/A
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	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 C18128 G167Z38QA4 UNII-G167Z38QA4 [ 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	1641, 3829
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	37.0 nM	PMID1335078	ChEMBL
IC50	11200.0 nM	PMID8021929	ChEMBL
IC50 ratio	7.8 -	PMID2160538	ChEMBL
IC50 ratio	11.2 -	PMID7853332, PMID8380614	ChEMBL
IC50 ratio	24.0 -	PMID10479286	ChEMBL
Kd	50.12 nM	PMID16335927	ChEMBL
Ke	29.0 -	PMID1851846	ChEMBL
Ke	29.0 nM	PMID9207938, PMID2160538, PMID8126697, PMID1648136	ChEMBL
Ke	29.4 nM	PMID9836606	ChEMBL
Ke	32.0 nM	PMID2828619	ChEMBL
Ke	43.0 nM	PMID14998329, PMID12565965, PMID10479286	ChEMBL
Ke	52.2 nM	PMID7562933	ChEMBL
Ke	151.0 nM	PMID7562933	ChEMBL
Ki	1.8 nM	PMID12565965	ChEMBL
Ki	3.2 nM	PMID14998329, PMID12431065, PMID10229636	ChEMBL
Ki	3.8 nM	PMID7853332, PMID2160538, PMID8021929, PMID1333013, PMID1648136	ChEMBL
Ki	12.7 nM	PMID18637671	ChEMBL
Ki	14.7 nM	PMID12930147	ChEMBL
Ki	27.0 nM	PMID18637671	ChEMBL
Ki	27.5 nM	PMID11294396	ChEMBL
Ki	33.9 nM	PMID17402725	ChEMBL
Ki	38.0 -	PMID1851846	ChEMBL
pA2	7.3 nM	PMID9301674	ChEMBL
Ratio	11.2 -	PMID8021928	ChEMBL
Ratio	123.0 -	PMID1851846	ChEMBL
Ratio	127.0 -	PMID1333013	ChEMBL
Ratio	223.0 -	PMID1851846	ChEMBL