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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	MLS001096203
Molecular formula	C22H31N3O5S
IUPAC name	4-(azepane-1-carbonyl)-N-(2,5-dimethoxyphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide
Molecular weight	449.566
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.6
Synonyms	4-(azepane-1-carbonyl)-N-(2,5-dimethoxyphenyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide cid_20945667 MolPort-007-835-328 4-(azepan-1-ylcarbonyl)-N-(2,5-dimethoxyphenyl)-1,2,5-trimethyl-1H-pyrrole-3-sulfonamide 4-(azepane-1-carbonyl)-N-(2,5-dimethoxyphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide MCULE-7354718042 AKOS002039165 SMR000630930 4-(azepan-1-ylcarbonyl)-N-(2,5-dimethoxyphenyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide CHEMBL1300997 4-[1-azepanyl(oxo)methyl]-N-(2,5-dimethoxyphenyl)-1,2,5-trimethyl-3-pyrrolesulfonamide BDBM62158 ZINC9685336 [ Show all ]
Inchi Key	CSJDSJQKLZFJQP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H31N3O5S/c1-15-20(22(26)25-12-8-6-7-9-13-25)21(16(2)24(15)3)31(27,28)23-18-14-17(29-4)10-11-19(18)30-5/h10-11,14,23H,6-9,12-13H2,1-5H3
PubChem CID	20945667
ChEMBL	CHEMBL1300997
IUPHAR	N/A
BindingDB	62158
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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