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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.
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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	MLS001030841
Molecular formula	C29H31N3O3S
IUPAC name	5-[(2-methylphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide
Molecular weight	501.645
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.2
Synonyms	HMS1915G07 SMR000635037 6-keto-5-(2-methylbenzyl)-N-(3-morpholinopropyl)benzo[b][1,4]benzothiazepine-3-carboxamide AKOS002106257 MCULE-7746747172 CHEMBL1585038 MolPort-007-938-827 5-[(2-methylphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide HMS2954M17 ZINC20726789 BDBM62147 10-(2-methylbenzyl)-N-(3-morpholin-4-ylpropyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide cid_5091342 NCGC00140413-01 5-[(2-methylphenyl)methyl]-N-[3-(4-morpholinyl)propyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide K788-1158 AC1NONP3 MLS003882268 5-[(2-methylphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide [ Show all ]
Inchi Key	BKZWTDSEUPHOEH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H31N3O3S/c1-21-7-2-3-8-23(21)20-32-25-19-22(28(33)30-13-6-14-31-15-17-35-18-16-31)11-12-27(25)36-26-10-5-4-9-24(26)29(32)34/h2-5,7-12,19H,6,13-18,20H2,1H3,(H,30,33)
PubChem CID	5091342
ChEMBL	CHEMBL1585038
IUPHAR	N/A
BindingDB	62147
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	8232.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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