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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	CHEMBL313030
Molecular formula	C35H41N5O4
IUPAC name	(2S)-3-(1H-indol-3-yl)-2-methyl-2-[(4-nitrophenyl)carbamoylamino]-N-[[1-(4-propan-2-ylphenyl)cyclohexyl]methyl]propanamide
Molecular weight	595.744
Hydrogen bond acceptor	4
Hydrogen bond donor	4
XlogP	7.4
Synonyms	BDBM50071749 (S)-3-(1H-Indol-3-yl)-N-[1-(4-isopropyl-phenyl)-cyclohexylmethyl]-2-methyl-2-[3-(4-nitro-phenyl)-ureido]-propionamide
Inchi Key	AFDFFXDMBHJMEI-UMSFTDKQSA-N
Inchi ID	InChI=1S/C35H41N5O4/c1-24(2)25-11-13-27(14-12-25)35(19-7-4-8-20-35)23-37-32(41)34(3,21-26-22-36-31-10-6-5-9-30(26)31)39-33(42)38-28-15-17-29(18-16-28)40(43)44/h5-6,9-18,22,24,36H,4,7-8,19-21,23H2,1-3H3,(H,37,41)(H2,38,39,42)/t34-/m0/s1
PubChem CID	44321117
ChEMBL	CHEMBL313030
IUPHAR	N/A
BindingDB	50071749
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	35.0 nM	PMID9873586	BindingDB,ChEMBL

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