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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	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	CHEMBL89813
Molecular formula	C31H34N6O4
IUPAC name	(2S)-3-(1H-indol-3-yl)-2-methyl-2-[(2-nitrophenyl)carbamoylamino]-N-[(1-pyridin-2-ylcyclohexyl)methyl]propanamide
Molecular weight	554.651
Hydrogen bond acceptor	5
Hydrogen bond donor	4
XlogP	5.8
Synonyms	BDBM50071732 (S)-3-(1H-Indol-3-yl)-2-methyl-2-[3-(2-nitro-phenyl)-ureido]-N-(1-pyridin-2-yl-cyclohexylmethyl)-propionamide
Inchi Key	JCTVJEOJKGTAMS-PMERELPUSA-N
Inchi ID	InChI=1S/C31H34N6O4/c1-30(19-22-20-33-24-12-4-3-11-23(22)24,36-29(39)35-25-13-5-6-14-26(25)37(40)41)28(38)34-21-31(16-8-2-9-17-31)27-15-7-10-18-32-27/h3-7,10-15,18,20,33H,2,8-9,16-17,19,21H2,1H3,(H,34,38)(H2,35,36,39)/t30-/m0/s1
PubChem CID	44321035
ChEMBL	CHEMBL89813
IUPHAR	N/A
BindingDB	50071732
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	1254.0 nM	PMID9873586	BindingDB,ChEMBL

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