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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Neuropeptides B/W receptor type 1
Species	Homo sapiens (Human)
Gene	NPBWR1
Synonym	G protein-coupled receptor 7 G-protein coupled receptor 7 GPR7 neuropeptides B/W receptor type 1 NPBW1 receptor
Disease	N/A
Length	328
Amino acid sequence	MDNASFSEPWPANASGPDPALSCSNASTLAPLPAPLAVAVPVVYAVICAVGLAGNSAVLYVLLRAPRMKTVTNLFILNLAIADELFTLVLPINIADFLLRQWPFGELMCKLIVAIDQYNTFSSLYFLTVMSADRYLVVLATAESRRVAGRTYSAARAVSLAVWGIVTLVVLPFAVFARLDDEQGRRQCVLVFPQPEAFWWRASRLYTLVLGFAIPVSTICVLYTTLLCRLHAMRLDSHAKALERAKKRVTFLVVAILAVCLLCWTPYHLSTVVALTTDLPQTPLVIAISYFITSLSYANSCLNPFLYAFLDASFRRNLRQLITCRAAA
UniProt	P48145
Protein Data Bank	N/A
GPCR-HGmod model	P48145
3D structure model	This predicted structure model is from GPCR-EXP P48145.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1293293
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	MLS000768518
Molecular formula	C22H25Br2N3O3
IUPAC name	4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-8,9-dibromo-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
Molecular weight	539.268
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	2.1
Synonyms	4-[2-(4-Benzyl-piperazin-1-yl)-2-oxo-ethyl]-8,9-dibromo-4-aza-tricyclo[5.2.1.02,6]decane-3,5-dione CHEMBL1446321 STK286054 AK-918/12348037 MCULE-6066847801 BDBM46805 MolPort-001-486-983 2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-5,6-dibromohexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione cid_5129939 AKOS003244771 SMR000431839 4-[2-(4-benzyl-1-piperazinyl)-2-oxoethyl]-8,9-dibromo-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione 488786-61-4 HMS2800M19 AKOS022074588 MLS003902545 [ Show all ]
Inchi Key	DSDQIJMWSKQXQQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H25Br2N3O3/c23-19-14-10-15(20(19)24)18-17(14)21(29)27(22(18)30)12-16(28)26-8-6-25(7-9-26)11-13-4-2-1-3-5-13/h1-5,14-15,17-20H,6-12H2
PubChem CID	5129939
ChEMBL	CHEMBL1446321
IUPHAR	N/A
BindingDB	46805
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	4176.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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