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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	CHEMBL2369388
Molecular formula	C46H68N12O8
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-[[(2S)-4-methyl-1-(3-methylbutoxy)pentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-3-methylbutanamide
Molecular weight	917.126
Hydrogen bond acceptor	10
Hydrogen bond donor	10
XlogP	3.1
Synonyms	BDBM50012316 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-(3-methyl-butoxymethyl)-butylcarbamoyl]-ethylcarbamoyl}-methyl)-3-methyl-butyramide
Inchi Key	BNPBRPSRBCTNQA-CIXMYUOOSA-N
Inchi ID	InChI=1S/C46H68N12O8/c1-26(2)13-14-66-23-34(15-27(3)4)55-44(63)39(18-33-21-48-25-52-33)56-40(60)22-50-46(65)41(28(5)6)58-42(61)29(7)53-43(62)37(16-31-19-49-36-12-10-9-11-35(31)36)57-45(64)38(54-30(8)59)17-32-20-47-24-51-32/h9-12,19-21,24-29,34,37-39,41,49H,13-18,22-23H2,1-8H3,(H,47,51)(H,48,52)(H,50,65)(H,53,62)(H,54,59)(H,55,63)(H,56,60)(H,57,64)(H,58,61)/t29-,34-,37-,38-,39-,41-/m0/s1
PubChem CID	73351474
ChEMBL	CHEMBL2369388
IUPHAR	N/A
BindingDB	50012316
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	11.0 nM	PMID2066982	BindingDB,ChEMBL
IC50	32.0 nM	PMID2066982	BindingDB,ChEMBL

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