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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	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	CHEMBL263873
Molecular formula	C47H68N14O9S
IUPAC name	(2S)-2-[[(2S)-2-[[(2R)-2-[[(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]-3-methylbutanoyl]amino]propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-4-methylpentanamide
Molecular weight	1005.21
Hydrogen bond acceptor	12
Hydrogen bond donor	12
XlogP	0.6
Synonyms	Ac-His-Trp-Ala-Val-D-Ala-His-Leu-Met-NH2 BDBM50012309 D03DSG
Inchi Key	FLMAIOAFTCGWGR-UGUXQERMSA-N
Inchi ID	InChI=1S/C47H68N14O9S/c1-24(2)15-35(44(67)57-34(40(48)63)13-14-71-8)59-46(69)38(18-31-21-50-23-53-31)58-41(64)26(5)55-47(70)39(25(3)4)61-42(65)27(6)54-43(66)36(16-29-19-51-33-12-10-9-11-32(29)33)60-45(68)37(56-28(7)62)17-30-20-49-22-52-30/h9-12,19-27,34-39,51H,13-18H2,1-8H3,(H2,48,63)(H,49,52)(H,50,53)(H,54,66)(H,55,70)(H,56,62)(H,57,67)(H,58,64)(H,59,69)(H,60,68)(H,61,65)/t26-,27+,34+,35+,36+,37+,38+,39+/m1/s1
PubChem CID	44306563
ChEMBL	CHEMBL263873
IUPHAR	N/A
BindingDB	50012309
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	3.2 nM	PMID2066982	BindingDB,ChEMBL

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