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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	Rattus norvegicus (Rat)
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	MDPNNCSHLNLEVDPFLSCNNTFNQTLNPPKMDNWFHPGIIYVIPAVYGLIIVIGLIGNITLIKIFCTVKSMRNVPNLFISSLALGDLLLLVTCAPVDASKYLADRWLFGRIGCKLIPFIQLTSVGVSVFTLTALSADRYKAIVRPMDIQASHALMKICLKAALIWIVSMLLAIPEAVFSDLHPFHVKDTNQTFISCAPYPHSNELHPKIHSMASFLVFYIIPLSIISVYYYFIARNLIQSAYNLPVEGNIHVKKQIESRKRLAKTVLVFVGLFAFCWLPNHVIYLYRSYHYSEVDTSMLHFITSICARLLAFTNSCVNPFALYLLSKSFRKQFNTQLLCCQPSLLNRSHSTGRSTTCMTSFKSTNPSATFSLINGNICHEGYV
UniProt	P52500
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	CHEMBL4280
IUPHAR	39
DrugBank	N/A

Ligand

Name	CHEMBL2373073
Molecular formula	C64H76N14O14S2
IUPAC name	(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2R)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioylamino]pentanediamide
Molecular weight	1329.52
Hydrogen bond acceptor	17
Hydrogen bond donor	15
XlogP	3.4
Synonyms	N/A
Inchi Key	BVGMKIXJDPCNQI-GPEMHLATSA-N
Inchi ID	InChI=1S/C64H76N14O14S2/c1-31(2)21-47(59(87)74-45(55(66)83)19-20-94-6)75-60(88)49(24-36-28-67-30-70-36)73-53(82)29-69-61(89)54(32(3)4)78-56(84)33(5)71-58(86)48(22-34-27-68-44-10-8-7-9-39(34)44)76-57(85)46(17-18-52(65)81)77-63(93)72-35-11-14-41-40(23-35)62(90)92-64(41)42-15-12-37(79)25-50(42)91-51-26-38(80)13-16-43(51)64/h7-16,23,25-28,30-33,45-49,54,68,79-80H,17-22,24,29H2,1-6H3,(H2,65,81)(H2,66,83)(H,67,70)(H,69,89)(H,71,86)(H,73,82)(H,74,87)(H,75,88)(H,76,85)(H,78,84)(H2,72,77,93)/t33-,45+,46-,47-,48-,49-,54-/m0/s1
PubChem CID	73354830
ChEMBL	CHEMBL2373073
IUPHAR	N/A
BindingDB	N/A
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	PMID11985468	ChEMBL

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