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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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GPCR

Name	Mu-type opioid receptor
Species	Rattus norvegicus (Rat)
Gene	Oprm1
Synonym	Opioid receptor B opioid receptor OP3 mu receptor MOR-1 MOPr MOP M-OR-1 opioid receptor, mu 1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	398
Amino acid sequence	MDSSTGPGNTSDCSDPLAQASCSPAPGSWLNLSHVDGNQSDPCGLNRTGLGGNDSLCPQTGSPSMVTAITIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKIVNVCNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPVLIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRVRQNTREHPSTANTVDRTNHQLENLEAETAPLP
UniProt	P33535
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	CHEMBL270
IUPHAR	319
DrugBank	N/A

Ligand

Name	Cebranopadol
Molecular formula	C24H27FN2O
IUPAC name	6-fluoro-N,N-dimethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine
Molecular weight	378.491
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.3
Synonyms	GRT 6005 MolPort-039-063-422 Spiro(cyclohexane-1,1'(3'h)-pyrano(3,4-b)indol)-4-amine, 6'-fluoro-4',9'-dihydro-n,N-dimethyl-4-phenyl-, trans- (1r,4r)-6'-Fluoro-N,N-dimethyl-4-phenyl-4',9'-dihydro-3'H-spiro[cyclohexane-1,1'-pyrano[3,4-b]indol]-4-amine AK170452 BDBM50101112 Cebranopadol [USAN:INN] D03TBJ GRT6005 SCHEMBL10035739 US9120797, 24 6-fluoro-N,N-dimethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine AKOS032953927 CHEMBL2364605 DB12830 KB-145997 SCHEMBL19336241 ZINC3950145 BDBM177926 CHEMBL3962932 GRT 6005/06 NCGC00378895-01 trans-6'-Fluoro-n,N-dimethyl-4-phenyl-4',9''-dihydro-3'h-spiro(cyclohexane-1,1'-pyrano(3,4-b)indol)-4-amine AKOS025290738 Cebranopadol(GRT-6005) D0R4YE GTPL8866 SCHEMBL14183935 US9120797, 25 7GDW9S3GN3 AS-35183 CHEMBL3545616 EX-A1095 KS-00000632 SCHEMBL566256 (1r,4r)-6'-fluoro-N,N-dimethyl-4-phenyl-4',9'-dihydro-3'H-spiro[cyclohexane-1,1'-pyrano[3,4-b]indole]-4-amine A3296 BDBM50101095 CS-1323 GRT-6005 SB16531 UNII-7GDW9S3GN3 6-Fluoro-N,N-dimethyl-1'-phenyl-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine AKOS025402576 Cebranopadol (USAN/INN) Centrally-acting nociceptin agonist analgesic (oral liquid, pain/diabetic neuropathy), Grunenthal D10436 HY-15536 SCHEMBL154336 W-6094 863513-91-1 BCP09612 [ Show all ]
Inchi Key	CSMVOZKEWSOFER-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H27FN2O/c1-27(2)23(17-6-4-3-5-7-17)11-13-24(14-12-23)22-19(10-15-28-24)20-16-18(25)8-9-21(20)26-22/h3-9,16,26H,10-15H2,1-2H3
PubChem CID	11848225
ChEMBL	CHEMBL3962932
IUPHAR	8866
BindingDB	177926
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	2.4 nM	PMID24713140	IUPHAR

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