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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	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	CHEMBL3142372
Molecular formula	C54H75N13O11
IUPAC name	(2S)-N-[(2S)-1-[[(2S)-1-[[(3S)-1-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-oxoazepan-3-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[3-(4-hydroxyphenyl)propanoylamino]pentanediamide
Molecular weight	1082.27
Hydrogen bond acceptor	12
Hydrogen bond donor	12
XlogP	1.9
Synonyms	JMV-1803
Inchi Key	HCLOOVPFXYLTPB-VVSCBZBRSA-N
Inchi ID	InChI=1S/C54H75N13O11/c1-30(2)22-41(48(56)72)64-52(76)42(23-31(3)4)65-53(77)44(25-35-27-57-29-59-35)62-47(71)28-67-21-9-8-12-40(54(67)78)63-49(73)32(5)60-51(75)43(24-34-26-58-38-11-7-6-10-37(34)38)66-50(74)39(18-19-45(55)69)61-46(70)20-15-33-13-16-36(68)17-14-33/h6-7,10-11,13-14,16-17,26-27,29-32,39-44,58,68H,8-9,12,15,18-25,28H2,1-5H3,(H2,55,69)(H2,56,72)(H,57,59)(H,60,75)(H,61,70)(H,62,71)(H,63,73)(H,64,76)(H,65,77)(H,66,74)/t32-,39-,40-,41-,42-,43-,44-/m0/s1
PubChem CID	10011407
ChEMBL	CHEMBL3142372
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
Ki	1.8 nM	PMID10882361	ChEMBL

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