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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	C-C chemokine receptor type 7
Species	Homo sapiens (Human)
Gene	CCR7
Synonym	MIP-3 beta receptor Epstein-Barr virus-induced G-protein coupled receptor 1 EBV-induced G-protein coupled receptor 1 EBI1 EBI-1 CDw197 CD197 CCR7 CCR-7 CC-CKR-7 C-C CKR-7 BLR2 [ Show all ]
Disease	N/A
Length	378
Amino acid sequence	MDLGKPMKSVLVVALLVIFQVCLCQDEVTDDYIGDNTTVDYTLFESLCSKKDVRNFKAWFLPIMYSIICFVGLLGNGLVVLTYIYFKRLKTMTDTYLLNLAVADILFLLTLPFWAYSAAKSWVFGVHFCKLIFAIYKMSFFSGMLLLLCISIDRYVAIVQAVSAHRHRARVLLISKLSCVGIWILATVLSIPELLYSDLQRSSSEQAMRCSLITEHVEAFITIQVAQMVIGFLVPLLAMSFCYLVIIRTLLQARNFERNKAIKVIIAVVVVFIVFQLPYNGVVLAQTVANFNITSSTCELSKQLNIAYDVTYSLACVRCCVNPFLYAFIGVKFRNDLFKLFKDLGCLSQEQLRQWSSCRHIRRSSMSVEAETTTTFSP
UniProt	P32248
Protein Data Bank	N/A
GPCR-HGmod model	P32248
3D structure model	This predicted structure model is from GPCR-EXP P32248.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4594
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL2435852
Molecular formula	C33H38N4O5
IUPAC name	4-[6-methyl-5-[[4-[(5R)-3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]pyridin-2-yl]oxybenzoic acid
Molecular weight	570.69
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	2.0
Synonyms	4-(6-Methyl-5-{4-[(R)-2-oxo-5-phenyl-3-(tetrahydro-pyran-4-yl)-imidazolidin-1-yl]-piperidin-1-ylmethyl}-pyridin-2-yloxy)-benzoic acid BDBM50441717 NAYZSSQGIKJDGG-PMERELPUSA-N 4-[[6-Methyl-5-[[4-[(5R)-2-oxo-5-phenyl-3-(tetrahydro-2H-pyran-4-yl)imidazolidine-1-yl]piperidino]methyl]pyridine-2-yl]oxy]benzoic acid SCHEMBL4597450
Inchi Key	NAYZSSQGIKJDGG-PMERELPUSA-N
Inchi ID	InChI=1S/C33H38N4O5/c1-23-26(9-12-31(34-23)42-29-10-7-25(8-11-29)32(38)39)21-35-17-13-28(14-18-35)37-30(24-5-3-2-4-6-24)22-36(33(37)40)27-15-19-41-20-16-27/h2-12,27-28,30H,13-22H2,1H3,(H,38,39)/t30-/m0/s1
PubChem CID	58835024
ChEMBL	CHEMBL2435852
IUPHAR	N/A
BindingDB	50441717
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	83.8 %	PMID24090135	ChEMBL

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