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GLASS

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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	CHEMBL1689540
Molecular formula	C37H44N6O5
IUPAC name	(1S,2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-[[(2R,3R)-1-amino-1-oxo-3-phenylbutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
Molecular weight	652.796
Hydrogen bond acceptor	6
Hydrogen bond donor	7
XlogP	4.3
Synonyms	(1S,2R)-N-((S)-1-((2R,3R)-1-amino-1-oxo-3-phenylbutan-2-ylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)-2-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)cyclohexanecarboxamide BDBM50339234
Inchi Key	BHRXNCNPQWWEGY-NZLLLSFESA-N
Inchi ID	InChI=1S/C37H44N6O5/c1-22(24-9-3-2-4-10-24)33(34(39)45)43-37(48)32(20-25-21-40-30-13-7-5-11-27(25)30)42-35(46)28-12-6-8-14-31(28)41-36(47)29(38)19-23-15-17-26(44)18-16-23/h2-5,7,9-11,13,15-18,21-22,28-29,31-33,40,44H,6,8,12,14,19-20,38H2,1H3,(H2,39,45)(H,41,47)(H,42,46)(H,43,48)/t22-,28+,29+,31-,32+,33-/m1/s1
PubChem CID	51350284
ChEMBL	CHEMBL1689540
IUPHAR	N/A
BindingDB	50339234
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	3364.0 nM	PMID21287991	BindingDB,ChEMBL

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