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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL451962
Molecular formula	C34H39N5O4
IUPAC name	(2S)-N-[(4R)-2-[2-(benzylamino)-2-oxoethyl]-3-oxo-1,4,5,10-tetrahydroazepino[3,4-b]indol-4-yl]-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propanamide
Molecular weight	581.717
Hydrogen bond acceptor	5
Hydrogen bond donor	4
XlogP	4.1
Synonyms	BDBM50266061 (S)-N-((R)-2-(2-(benzylamino)-2-oxoethyl)-3-oxo-1,2,3,4,5,10-hexahydroazepino[3,4-b]indol-4-yl)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propanamide
Inchi Key	AEPMYORXXJWXPR-VEEOACQBSA-N
Inchi ID	InChI=1S/C34H39N5O4/c1-21-14-24(40)15-22(2)26(21)17-31(38(3)4)33(42)37-29-16-27-25-12-8-9-13-28(25)36-30(27)19-39(34(29)43)20-32(41)35-18-23-10-6-5-7-11-23/h5-15,29,31,36,40H,16-20H2,1-4H3,(H,35,41)(H,37,42)/t29-,31+/m1/s1
PubChem CID	44581438
ChEMBL	CHEMBL451962
IUPHAR	N/A
BindingDB	50266061
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	681.0 nM	PMID19062273	BindingDB,ChEMBL

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