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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	SMR000117962
Molecular formula	C24H25N5O4S
IUPAC name	N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-1,2,5-thiadiazole-3-carboxamide
Molecular weight	479.555
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	3.2
Synonyms	Oprea1_231547 HMS2299O03 N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-1,2,5-thiadiazole-3-carboxamide ASN 05304140 Oprea1_282264 CHEMBL1609697 MLS000527488 [1,2,5]Thiadiazole-3-carboxylic acid benzo[1,3]dioxol-5-ylmethyl-(cyclohexylcarbamoyl-pyridin-4-yl-methyl)-amide N-[2-(cyclohexylamino)-2-keto-1-(4-pyridyl)ethyl]-N-piperonyl-1,2,5-thiadiazole-3-carboxamide BDBM42417 REGID_for_CID_3200707 cid_3200707 N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxidanylidene-1-pyridin-4-yl-ethyl]-1,2,5-thiadiazole-3-carboxamide AC1MK95Z [ Show all ]
Inchi Key	BGSVSADZEMUBIT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H25N5O4S/c30-23(27-18-4-2-1-3-5-18)22(17-8-10-25-11-9-17)29(24(31)19-13-26-34-28-19)14-16-6-7-20-21(12-16)33-15-32-20/h6-13,18,22H,1-5,14-15H2,(H,27,30)
PubChem CID	3200707
ChEMBL	CHEMBL1609697
IUPHAR	N/A
BindingDB	42417
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	<43807.0 nM	PubChem BioAssay data set	ChEMBL
IC50	43807.0 nM	N/A	BindingDB

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