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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	Diprenorphine
Molecular formula	C26H35NO4
IUPAC name	(1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-16-(2-hydroxypropan-2-yl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol
Molecular weight	425.569
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	3.6
Synonyms	EINECS 238-325-7 RX 5050M 1F0L5N25ZZ 6,14-Ethenomorphinan-7-methanol, 17-(cyclopropylmethyl)-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-alpha,alpha-dimethyl-, (5alpha,7alpha)- Diprenorfina Diprenorphine (INN) M 5050 ZINC4102215 (5alpha,7alpha)-17-(Cyclopropylmethyl)-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-alpha,alpha-dimethyl-6,14-ethenomorphinan-7-methanol 2-[3-cyclopropylmethyl-11-hydroxy-15-methoxy-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7(12),8,10-trien-16-yl]-2-propanol AKOS024457358 D0O6SB Diprenorphinum M50-50 16808-86-9 (hydrochloride) 6,14-endo-Ethanotetrahydrooripavine, 21-cyclopropyl-7a-(1-hydroxy-1-methylethyl)- (8CI) 1-N-Cyclopropylmethyl-6,7,8,14-tetrahydro-6,14-endoethano-7-(2'-hydroxy-2'-propyl)nororipavine C11794 DEA No. 9058 Diprenorfina [INN-Spanish] epoxy-18,19-dihydro-3-hydroxy-6-methoxy-alpha,alpha-dimethyl-, (5alpha,7alpha)- SCHEMBL164910 2-[3-cyclopropylmethyl-11-hydroxy-15-methoxy-(1S,2R,6S,14R,15R,16R)-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7,9,11-trien-16-yl]-2-propanol 6,14-Ethenomorphinan-7-methanol, 17-(cyclopropylmethyl)-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-alpha,alpha-dimethyl-, (5alpha,7alpha)- (9CI) CHEMBL281786 Diprenorphine [INN:BAN] M 5050 Injection 14357-78-9 21-Cyclopropyl-6,7,8,14-tetrahydro-7alpha-(1-hydroxy-1-methylethyl)-6,14-endo-ethanooripavine API0004768 Diprenorphinum [INN-Latin] M50-50 Injection 17-(Cyclopropylmethyl)-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-?,?-dimethyl-6,14-ethenomorphinan-7-methanol 6,14-ethenomorphinan-3-ol, 17-(cyclopropylmethyl)-4,5-epoxy-18,19-dihydro-18-(1-hydroxy-1-methylethyl)-6-methoxy-, (5alpha,6beta,14beta,18R)- CHEBI:4650 Diprenorfin GTPL1617 UNII-1F0L5N25ZZ (5?,7?)-17-(Cyclopropylmethyl)-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-?,?-dimethyl-6,14-ethenomorphinan-7-methanol 2-[3-cyclopropylmethyl-11-hydroxy-15-methoxy-(1S,2R,6S,14R,15R,16R)-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7,9,11-trien-16-yl]-2-propanol(diprenorphine) AC1L9ELZ D07863 DIPRENORPHINE-HCl M. 5050 BDBM50001714 DB01548 [ Show all ]
Inchi Key	OIJXLIIMXHRJJH-KNLIIKEYSA-N
Inchi ID	InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3/t18-,19-,22-,24-,25+,26-/m1/s1
PubChem CID	443408
ChEMBL	CHEMBL281786
IUPHAR	1617
BindingDB	50001714
DrugBank	DB01548
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	0.71 nM	PMID1335078	ChEMBL
IC50	0.71 nM	PMID1335078	BindingDB
Ki	0.2 nM	PMID9686407	BindingDB

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