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GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	SMR000131465
Molecular formula	C22H26N2O3
IUPAC name	N-cyclooctyl-2-(furan-2-ylmethyl)-3-oxo-1H-isoindole-1-carboxamide
Molecular weight	366.461
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.0
Synonyms	N-cyclooctyl-2-(2-furfuryl)-3-keto-isoindoline-1-carboxamide CCG-34419 cid_4516225 MLS000521056 AKOS002127284 N-cyclooctyl-2-(furan-2-ylmethyl)-3-oxidanylidene-1H-isoindole-1-carboxamide EU-0097503 SR-01000144718 N-cyclooctyl-2-(2-furanylmethyl)-3-oxo-1H-isoindole-1-carboxamide BDBM62082 N-cyclooctyl-2-(furan-2-ylmethyl)-3-oxo-1H-isoindole-1-carboxamide CHEMBL1565197 HMS2445K18 SR-01000144718-1 AC1NCRJB [ Show all ]
Inchi Key	CZHKNIVNMCJKFB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H26N2O3/c25-21(23-16-9-4-2-1-3-5-10-16)20-18-12-6-7-13-19(18)22(26)24(20)15-17-11-8-14-27-17/h6-8,11-14,16,20H,1-5,9-10,15H2,(H,23,25)
PubChem CID	4516225
ChEMBL	CHEMBL1565197
IUPHAR	N/A
BindingDB	62082
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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