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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	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	[3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-piperidin-1-ylmethanone MCULE-1336729813 SMR000670877 BDBM62159 [3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]-piperidin-1-yl-methanone cid_6463414 AC1O5TM4 ZINC6697586 [3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-piperidino-methanone HMS2983N21 MolPort-002-105-303 AKOS000918252 [3-(1-azepanylsulfonyl)-4-chlorophenyl]-(1-piperidinyl)methanone CHEMBL1543278 [ 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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