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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	Gastric inhibitory polypeptide receptor
Species	Rattus norvegicus (Rat)
Gene	Gipr
Synonym	GIP receptor GIP-R Gippr Glucose-dependent insulinotropic polypeptide receptor
Disease	N/A for non-human GPCRs
Length	455
Amino acid sequence	MPLRLLLLLLWLWGLSLQRAETDSEGQTTGELYQRWERYGWECQNTLEATEPPSGLACNGSFDMYACWNYTAANTTARVSCPWYLPWYRQVAAGFVFRQCGSDGQWGSWRDHTQCENPEKNGAFQDQKLILERLQVVYTVGYSLSLATLLLALLILSLFRRLHCTRNYIHMNLFTSFMLRAGAILTRDQLLPPLGPYTGNQTPTLWNQALAACRTAQILTQYCVGANYTWLLVEGVYLHHLLVVVRRSEKGHFRCYLLLGWGAPALFVIPWVIVRYLYENTQCWERNEVKAIWWIIRTPILITILINFLIFIRILGILVSKLRTRQMRCPDYRLRLARSTLTLMPLLGVHEVVFAPVTEEQAEGSLRFAKLAFEIFLSSFQGFLVSVLYCFINKEVQSEIRRLRLSLQEQCPRPHLGQAPRAVPLSSAPQEAAIRNALPSGMLHVPGDEVLESYC
UniProt	P43219
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	CHEMBL5001
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	GRA EX-25
Molecular formula	C29H36F3N3O5
IUPAC name	3-[[4-[[(4-tert-butylcyclohexyl)-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]methyl]benzoyl]amino]propanoic acid
Molecular weight	563.618
Hydrogen bond acceptor	8
Hydrogen bond donor	3
XlogP	5.8
Synonyms	CHEMBL198736 GRA-Ex-25 SCHEMBL2662958 b-Alanine,N-[4-[[[trans-4-(1,1-dimethylethyl)cyclohexyl][[[4-(trifluoromethoxy)phenyl]amino]carbonyl]amino]methyl]benzoyl]- cis-3-{4-[1-(4-tert-butylcyclohexyl)-3-(4-trifluoromethoxyphenyl)ureidomethyl]benzoylamino}propionic acid GRAEx25 trans-3-{4-[1-(4-tert-butylcyclohexyl)-3-(4-trifluoromethoxyphenyl)ureidomethyl]benzoylamino}propionic acid 3-(4-((1-((1r,4r)-4-(tert-butyl)cyclohexyl)-3-(4-(trifluoromethoxy)phenyl)ureido)methyl)benzamido)propanoic acid BDBM50202056 LS-193210 3-{4-[1-(4-tert-Butyl-cyclohexyl)-3-(4-trifluoromethoxy-phenyl)-ureidomethyl]-benzoylamino}-propionic acid AKOS032944977 CHEMBL219244 GRAEx 25 SCHEMBL4085195 BDBM50144009 CS-6006 HY-50675 ZINC101068595 3-(4-((1-(4-(tert-butyl)cyclohexyl)-3-(4-(trifluoromethoxy)phenyl)ureido)methyl)benzamido)propanoic acid GRA Ex25 MolPort-046-033-555 307983-31-9 AKOS032947326 CHEMBL62444 GRAEx-25 SCHEMBL4085225 BDBM50171817 GRA Ex 25 KB-74844 3-(4-((1-(4-tert-butylcyclohexyl)-3-(4-(trifluoromethoxy)phenyl)ureido)methyl)benzamido)propanoic acid [ Show all ]
Inchi Key	BZXMLCVDKDXRQY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H36F3N3O5/c1-28(2,3)21-8-12-23(13-9-21)35(27(39)34-22-10-14-24(15-11-22)40-29(30,31)32)18-19-4-6-20(7-5-19)26(38)33-17-16-25(36)37/h4-7,10-11,14-15,21,23H,8-9,12-13,16-18H2,1-3H3,(H,33,38)(H,34,39)(H,36,37)
PubChem CID	16100296
ChEMBL	CHEMBL198736
IUPHAR	N/A
BindingDB	50171817
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	42.0 nM	PMID18707090	BindingDB,ChEMBL

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