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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.
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	Mus musculus (Mouse)
Gene	Grpr
Synonym	BB2 BB2 receptor Gastrin-releasing peptide receptor GRP-preferring bombesin receptor GRP-R
Disease	N/A for non-human GPCRs
Length	384
Amino acid sequence	MAPNNCSHLNLDVDPFLSCNDTFNQSLSPPKMDNWFHPGFIYVIPAVYGLIIVIGLIGNITLIKIFCTVKSMRNVPNLFISSLALGDLLLLVTCAPVDASKYLADRWLFGRIGCKLIPFIQLTSVGVSVFTLTALSADRYKAIVRPMDIQASHALMKICLKAALIWIVSMLLAIPEAVFSDLHPFHVKDTNQTFISCAPYPHSNELHPKIHSMASFLVFYVIPLAIISVYYYFIARNLIQSAYNLPVEGNIHVKKQIESRKRLAKTVLVFVGLFAFCWLPNHVIYLYRSYHYSEVDTSMLHFVTSICARLLAFTNSCVNPFALYLLSKSFRKQFNTQLLCCQPGLMNRSHSTGRSTTCMTSFKSTNPSATFSLINRNICHEGYV
UniProt	P21729
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3596
IUPHAR	39
DrugBank	N/A

Ligand

Name	CHEMBL304469
Molecular formula	C43H62N12O7
IUPAC name	(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-N-[2-[[(2S)-3-(1H-imidazol-5-yl)-1-[[(4S)-2-methylheptan-4-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-3-methylbutanamide
Molecular weight	859.046
Hydrogen bond acceptor	9
Hydrogen bond donor	10
XlogP	2.1
Synonyms	BDBM50012312 2-{2-[2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionylamino]-3-(1H-indol-3-yl)-propionylamino]-propionylamino}-N-{[2-(3H-imidazol-4-yl)-1-(3-methyl-1-propyl-butylcarbamoyl)-ethylcarbamoyl]-methyl}-3-methyl-butyramide
Inchi Key	SNIFLSAJCDXIOR-XMNJRNTESA-N
Inchi ID	InChI=1S/C43H62N12O7/c1-8-11-29(14-24(2)3)52-41(60)36(17-31-20-45-23-49-31)53-37(57)21-47-43(62)38(25(4)5)55-39(58)26(6)50-40(59)34(15-28-18-46-33-13-10-9-12-32(28)33)54-42(61)35(51-27(7)56)16-30-19-44-22-48-30/h9-10,12-13,18-20,22-26,29,34-36,38,46H,8,11,14-17,21H2,1-7H3,(H,44,48)(H,45,49)(H,47,62)(H,50,59)(H,51,56)(H,52,60)(H,53,57)(H,54,61)(H,55,58)/t26-,29-,34-,35-,36-,38-/m0/s1
PubChem CID	44306456
ChEMBL	CHEMBL304469
IUPHAR	N/A
BindingDB	50012312
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	4.9 nM	PMID2066982	BindingDB,ChEMBL
IC50	35.0 nM	PMID2066982	BindingDB,ChEMBL

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