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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	MLS001116287
Molecular formula	C23H29ClN2O3
IUPAC name	2-(4-chloro-3-methylphenoxy)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
Molecular weight	416.946
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.6
Synonyms	2-(4-chloro-3-methylphenoxy)-N-[2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]acetamide STK909703 HMS2954M07 2-(4-chloranyl-3-methyl-phenoxy)-N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]ethanamide AKOS016167970 MolPort-000-486-339 2-(4-chloro-3-methylphenoxy)-N-[2-(4-methoxyphenyl)-2-(piperidin-1-yl)ethyl]acetamide CHEMBL1589201 Z27179673 880787-37-1 MCULE-2402832984 2-(4-chloro-3-methyl-phenoxy)-N-[2-(4-methoxyphenyl)-2-piperidino-ethyl]acetamide BDBM62151 SMR000625683 2-(4-chloro-3-methylphenoxy)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide cid_16438224 AKOS001519999 [ Show all ]
Inchi Key	CRAOTSUSWDADJO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H29ClN2O3/c1-17-14-20(10-11-21(17)24)29-16-23(27)25-15-22(26-12-4-3-5-13-26)18-6-8-19(28-2)9-7-18/h6-11,14,22H,3-5,12-13,15-16H2,1-2H3,(H,25,27)
PubChem CID	16438224
ChEMBL	CHEMBL1589201
IUPHAR	N/A
BindingDB	62151
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	<4867.0 nM	PubChem BioAssay data set	ChEMBL
IC50	4867.0 nM	N/A	BindingDB

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