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GLASS

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GPCR

Name	Gastric inhibitory polypeptide receptor
Species	Homo sapiens (Human)
Gene	GIPR
Synonym	GIP-R GIP receptor Glucose-dependent insulinotropic polypeptide receptor Gippr
Disease	Type 2 diabetes
Length	466
Amino acid sequence	MTTSPILQLLLRLSLCGLLLQRAETGSKGQTAGELYQRWERYRRECQETLAAAEPPSGLACNGSFDMYVCWDYAAPNATARASCPWYLPWHHHVAAGFVLRQCGSDGQWGLWRDHTQCENPEKNEAFLDQRLILERLQVMYTVGYSLSLATLLLALLILSLFRRLHCTRNYIHINLFTSFMLRAAAILSRDRLLPRPGPYLGDQALALWNQALAACRTAQIVTQYCVGANYTWLLVEGVYLHSLLVLVGGSEEGHFRYYLLLGWGAPALFVIPWVIVRYLYENTQCWERNEVKAIWWIIRTPILMTILINFLIFIRILGILLSKLRTRQMRCRDYRLRLARSTLTLVPLLGVHEVVFAPVTEEQARGALRFAKLGFEIFLSSFQGFLVSVLYCFINKEVQSEIRRGWHHCRLRRSLGEEQRQLPERAFRALPSGSGPGEVPTSRGLSSGTLPGPGNEASRELESYC
UniProt	P48546
Protein Data Bank	N/A
GPCR-HGmod model	P48546
3D structure model	This predicted structure model is from GPCR-EXP P48546.
BioLiP	N/A
Therapeutic Target Database	T41750
ChEMBL	CHEMBL4383
IUPHAR	248
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	307983-31-9 GRA Ex25 MolPort-046-033-555 AKOS032947326 CHEMBL62444 GRAEx-25 SCHEMBL4085225 3-(4-((1-(4-tert-butylcyclohexyl)-3-(4-(trifluoromethoxy)phenyl)ureido)methyl)benzamido)propanoic acid BDBM50171817 GRA Ex 25 KB-74844 CHEMBL198736 GRA-Ex-25 SCHEMBL2662958 3-(4-((1-((1r,4r)-4-(tert-butyl)cyclohexyl)-3-(4-(trifluoromethoxy)phenyl)ureido)methyl)benzamido)propanoic acid 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-(4-tert-Butyl-cyclohexyl)-3-(4-trifluoromethoxy-phenyl)-ureidomethyl]-benzoylamino}-propionic acid BDBM50202056 LS-193210 AKOS032944977 CHEMBL219244 GRAEx 25 SCHEMBL4085195 3-(4-((1-(4-(tert-butyl)cyclohexyl)-3-(4-(trifluoromethoxy)phenyl)ureido)methyl)benzamido)propanoic acid BDBM50144009 CS-6006 HY-50675 ZINC101068595 [ 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	28.0 nM	PMID18707090	BindingDB
IC50	28.3 nM	PMID18707090	ChEMBL

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