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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Gastrin-releasing peptide receptor
Species	Homo sapiens (Human)
Gene	GRPR
Synonym	GRP-R GRP-preferring bombesin receptor gastrin-releasing peptide receptor BB2 receptor BB2
Disease	Solid tumours Breast cancer Cancer Irritable bowel syndrome
Length	384
Amino acid sequence	MALNDCFLLNLEVDHFMHCNISSHSADLPVNDDWSHPGILYVIPAVYGVIILIGLIGNITLIKIFCTVKSMRNVPNLFISSLALGDLLLLITCAPVDASRYLADRWLFGRIGCKLIPFIQLTSVGVSVFTLTALSADRYKAIVRPMDIQASHALMKICLKAAFIWIISMLLAIPEAVFSDLHPFHEESTNQTFISCAPYPHSNELHPKIHSMASFLVFYVIPLSIISVYYYFIAKNLIQSAYNLPVEGNIHVKKQIESRKRLAKTVLVFVGLFAFCWLPNHVIYLYRSYHYSEVDTSMLHFVTSICARLLAFTNSCVNPFALYLLSKSFRKQFNTQLLCCQPGLIIRSHSTGRSTTCMTSLKSTNPSVATFSLINGNICHERYV
UniProt	P30550
Protein Data Bank	N/A
GPCR-HGmod model	P30550
3D structure model	This predicted structure model is from GPCR-EXP P30550.
BioLiP	N/A
Therapeutic Target Database	T99816
ChEMBL	CHEMBL4959
IUPHAR	39
DrugBank	N/A

Ligand

Name	CHEMBL313114
Molecular formula	C26H34N4O2
IUPAC name	2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-3-(1H-indol-3-yl)-N,2-dimethylpropanamide
Molecular weight	434.584
Hydrogen bond acceptor	2
Hydrogen bond donor	4
XlogP	4.8
Synonyms	2-[3-(2,6-Diisopropyl-phenyl)-ureido]-3-(1H-indol-3-yl)-2,N-dimethyl-propionamide BDBM50288245
Inchi Key	JSKGXFZDJKIKGY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H34N4O2/c1-16(2)19-11-9-12-20(17(3)4)23(19)29-25(32)30-26(5,24(31)27-6)14-18-15-28-22-13-8-7-10-21(18)22/h7-13,15-17,28H,14H2,1-6H3,(H,27,31)(H2,29,30,32)
PubChem CID	44322245
ChEMBL	CHEMBL313114
IUPHAR	N/A
BindingDB	50288245
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<10000.0 nM	, Bioorg. Med. Chem. Lett., (1996) 6:21:2617	BindingDB,ChEMBL

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