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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	CHEMBL294616
Molecular formula	C30H39N5O7S2
IUPAC name	(4S,7R,13S)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid
Molecular weight	645.79
Hydrogen bond acceptor	10
Hydrogen bond donor	7
XlogP	-0.6
Synonyms	BDBM50001683 MCMMCRYPQBNCPH-DVKRWUGUSA-N 13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triaza-cyclotetradecane-4-carboxylic acid
Inchi Key	MCMMCRYPQBNCPH-DVKRWUGUSA-N
Inchi ID	InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
PubChem CID	44299404
ChEMBL	CHEMBL294616
IUPHAR	N/A
BindingDB	50001683
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.

Parameter	Value	Reference	Database source
Activity	0.59 -	PMID17367120	ChEMBL
Activity	487.0 nM	PMID17367120	ChEMBL
IC50	0.63 nM	PMID9873480	BindingDB
IC50	0.63 nM	PMID9873480	ChEMBL
IC50	1.6 nM	PMID9822547, PMID13678399, PMID1320122	BindingDB,ChEMBL
IC50	3.0 nM	PMID2537426	ChEMBL
IC50	4.0 nM	PMID9873480	BindingDB,ChEMBL
IC50	5.25 nM	PMID2153205	ChEMBL
IC50	5.3 nM	PMID2153205	BindingDB
IC50	5.8 nM	PMID1648137, PMID1851843, PMID1320122, PMID8289188	BindingDB,ChEMBL
IC50	5.83 nM	PMID1320122, PMID1648137	ChEMBL
IC50	6.0 nM	PMID1317407	ChEMBL
IC50	8.5 nM	PMID8201592	ChEMBL
IC50	10.0 nM	PMID9397176	BindingDB,ChEMBL
IC50	540.0 nM	PMID8201592	BindingDB
IC50	1052.0 nM	PMID2537426	BindingDB
Ki	2.7 nM	PMID20599386	BindingDB
Ki	2.72 nM	PMID20599386	ChEMBL
Ki	8.39 nM	PMID22325949	ChEMBL
Ki	10.9 nM	PMID2845081, PMID2828622	BindingDB,ChEMBL
Ki	16.0 nM	PMID8230106	BindingDB
Ki	16.4 nM	PMID8230106	ChEMBL
Ki	17.7 nM	PMID1311764	ChEMBL
Ki	18.0 nM	PMID1311764	BindingDB
Potency	0.154 -	PMID8230106	ChEMBL