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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	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	CHEMBL316085
Molecular formula	C31H34ClN5O2
IUPAC name	(2S)-2-[(4-chlorophenyl)carbamoylamino]-3-(1H-indol-3-yl)-2-methyl-N-[(1-pyridin-2-ylcyclohexyl)methyl]propanamide
Molecular weight	544.096
Hydrogen bond acceptor	3
Hydrogen bond donor	4
XlogP	6.0
Synonyms	(S)-2-[3-(4-Chloro-phenyl)-ureido]-3-(1H-indol-3-yl)-2-methyl-N-(1-pyridin-2-yl-cyclohexylmethyl)-propionamide BDBM50071740
Inchi Key	AMIBSGKPRJXHLH-PMERELPUSA-N
Inchi ID	InChI=1S/C31H34ClN5O2/c1-30(19-22-20-34-26-10-4-3-9-25(22)26,37-29(39)36-24-14-12-23(32)13-15-24)28(38)35-21-31(16-6-2-7-17-31)27-11-5-8-18-33-27/h3-5,8-15,18,20,34H,2,6-7,16-17,19,21H2,1H3,(H,35,38)(H2,36,37,39)/t30-/m0/s1
PubChem CID	44321084
ChEMBL	CHEMBL316085
IUPHAR	N/A
BindingDB	50071740
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	149.0 nM	PMID9873586	BindingDB,ChEMBL

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