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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	Neuropeptides B/W receptor type 1
Species	Mus musculus (Mouse)
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 for non-human GPCRs
Length	329
Amino acid sequence	MHNLTLFESGGDNVSCGGSSLGCPNGSSLAPLPLPQPLAVAVPVVYGVICAVGLAGNSAVLYVLLRTPRMKTVTNVFILNLAIADELFTLVLPINIADFLLRRWPFGEVMCKLIVAVDQYNTFSSLYFLAVMSADRYLVVLATAESRRVSGRTYGAARAVSLAVWALVTLVVLPFAVFARLDEEQGRRQCVLVFPQPEAFWWRASRLYTLVLGFAIPVTTICALYTTLLCRLRAIQLDSHAKALDRAKKRVTLLVAAILAVCLLCWTPYHLSTIVALTTDLPQTPLVIGISYFITSLSYANSCLNPFLYAFLDDSFRRSLRQLVSCRSA
UniProt	P49681
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	CHEMBL1938219
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL1940529
Molecular formula	C30H34BrClN4OS
IUPAC name	[(1S,2S,4R)-4-[[1-(3-bromophenyl)cyclobutyl]amino]-2-thiophen-3-ylcyclohexyl]-[4-(5-chloropyridin-2-yl)piperazin-1-yl]methanone
Molecular weight	614.043
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	6.0
Synonyms	BDBM50362427
Inchi Key	JSMNLSLVGSIRJL-KWXIBIRDSA-N
Inchi ID	InChI=1S/C30H34BrClN4OS/c31-23-4-1-3-22(17-23)30(10-2-11-30)34-25-6-7-26(27(18-25)21-9-16-38-20-21)29(37)36-14-12-35(13-15-36)28-8-5-24(32)19-33-28/h1,3-5,8-9,16-17,19-20,25-27,34H,2,6-7,10-15,18H2/t25-,26+,27-/m1/s1
PubChem CID	57391313
ChEMBL	CHEMBL1940529
IUPHAR	N/A
BindingDB	50362427
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
IC50	160.0 nM	PMID22197390	BindingDB,ChEMBL
IC50	972.0 nM	PMID22197390	BindingDB,ChEMBL

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