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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	C5a anaphylatoxin chemotactic receptor 1
Species	Homo sapiens (Human)
Gene	C5AR1
Synonym	complement component 5a receptor 1 complement C5a receptor C5A CD88 C5R1 C5aR1 C5AR C5a1 receptor C5a anaphylatoxin chemotactic receptor C5a-R [ Show all ]
Disease	Vasculitis Atopic dermatitis Inflammatory disease Rheumatoid arthritis
Length	350
Amino acid sequence	MDSFNYTTPDYGHYDDKDTLDLNTPVDKTSNTLRVPDILALVIFAVVFLVGVLGNALVVWVTAFEAKRTINAIWFLNLAVADFLSCLALPILFTSIVQHHHWPFGGAACSILPSLILLNMYASILLLATISADRFLLVFKPIWCQNFRGAGLAWIACAVAWGLALLLTIPSFLYRVVREEYFPPKVLCGVDYSHDKRRERAVAIVRLVLGFLWPLLTLTICYTFILLRTWSRRATRSTKTLKVVVAVVASFFIFWLPYQVTGIMMSFLEPSSPTFLLLKKLDSLCVSFAYINCCINPIIYVVAGQGFQGRLRKSLPSLLRNVLTEESVVRESKSFTRSTVDTMAQKTQAV
UniProt	P21730
Protein Data Bank	6c1r, 6c1q, 5o9h
GPCR-HGmod model	P21730
3D structure model	This structure is from PDB ID 6c1r.
BioLiP	BL0415511, BL0415514, BL0415513, BL0415512, BL0401194,BL0401195,BL0401196,
Therapeutic Target Database	T15439
ChEMBL	CHEMBL2373
IUPHAR	32
DrugBank	N/A

Ligand

Name	CHEMBL353857
Molecular formula	C22H29N3O2
IUPAC name	1-[4-(cyclohexylmethoxy)-3-phenylmethoxyphenyl]-2-methylguanidine
Molecular weight	367.493
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	4.5
Synonyms	BDBM50291463 N-(3-Benzyloxy-4-cyclohexylmethoxy-phenyl)-N''-methyl-guanidine
Inchi Key	CPNMTTAKYKDAPT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H29N3O2/c1-24-22(23)25-19-12-13-20(26-15-17-8-4-2-5-9-17)21(14-19)27-16-18-10-6-3-7-11-18/h3,6-7,10-14,17H,2,4-5,8-9,15-16H2,1H3,(H3,23,24,25)
PubChem CID	44383008
ChEMBL	CHEMBL353857
IUPHAR	N/A
BindingDB	50291463
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	8000.0 nM	, Bioorg. Med. Chem. Lett., (1997) 7:7:907	BindingDB,ChEMBL

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