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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	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	CHEMBL102013
Molecular formula	C42H63N5O3
IUPAC name	(1R)-N-[1-[6-(1-aminopentylideneamino)hexylamino]-4-methyl-1-oxopentan-2-yl]-2-[[(1R)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methyl]-1-phenylcyclopropane-1-carboxamide
Molecular weight	685.998
Hydrogen bond acceptor	5
Hydrogen bond donor	4
XlogP	7.3
Synonyms	BDBM50090993 2-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2,6-methano-benzo[d]azocin-3-ylmethyl)-1-phenyl-cyclopropanecarboxylic acid [3-methyl-1-(6-pentanimidoylamino-hexylcarbamoyl)-butyl]-amide
Inchi Key	AJIUFNKLTBLQHQ-SWSYLUTGSA-N
Inchi ID	InChI=1S/C42H63N5O3/c1-6-7-17-38(43)44-21-13-8-9-14-22-45-39(49)36(24-29(2)3)46-40(50)42(32-15-11-10-12-16-32)27-33(42)28-47-23-20-41(5)30(4)37(47)25-31-18-19-34(48)26-35(31)41/h10-12,15-16,18-19,26,29-30,33,36-37,48H,6-9,13-14,17,20-25,27-28H2,1-5H3,(H2,43,44)(H,45,49)(H,46,50)/t30?,33?,36?,37?,41-,42+/m1/s1
PubChem CID	44332611
ChEMBL	CHEMBL102013
IUPHAR	N/A
BindingDB	50090993
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	3260.0 nM	PMID10956208	BindingDB,ChEMBL

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