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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	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	MLS001034823
Molecular formula	C18H25ClN2O3S
IUPAC name	[3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-piperidin-1-ylmethanone
Molecular weight	384.919
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	3.2
Synonyms	AKOS000918252 MolPort-002-105-303 CHEMBL1543278 [3-(1-azepanylsulfonyl)-4-chlorophenyl]-(1-piperidinyl)methanone MCULE-1336729813 [3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-piperidin-1-ylmethanone BDBM62159 SMR000670877 cid_6463414 [3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]-piperidin-1-yl-methanone AC1O5TM4 ZINC6697586 HMS2983N21 [3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-piperidino-methanone [ Show all ]
Inchi Key	CLHKLNZUACLMFZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H25ClN2O3S/c19-16-9-8-15(18(22)20-10-4-3-5-11-20)14-17(16)25(23,24)21-12-6-1-2-7-13-21/h8-9,14H,1-7,10-13H2
PubChem CID	6463414
ChEMBL	CHEMBL1543278
IUPHAR	N/A
BindingDB	62159
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	36220.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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