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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	CHEMBL604277
Molecular formula	C26H28N2O4S2
IUPAC name	4-methyl-N-[2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]phenyl]-N-prop-2-enylbenzenesulfonamide
Molecular weight	496.64
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	5.4
Synonyms	N,N'-Diallyl-N,N'-ditosyl-1,2-benzenediamine BDBM50305737 ZINC2573080 MCULE-3639320640 AC1MQKQY SBB057090 [(4-methylphenyl)sulfonyl](2-{[(4-methylphenyl)sulfonyl]prop-2-enylamino}pheny l)prop-2-enylamine 4-methyl-N-[2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]phenyl]-N-prop-2-enylbenzenesulfonamide N,N''-(1,2-phenylene)bis(N-allyl-4-methylbenzenesulfonamide) AKOS024364667 ST50997002 [ Show all ]
Inchi Key	WLHVFPKZYDQKGS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H28N2O4S2/c1-5-19-27(33(29,30)23-15-11-21(3)12-16-23)25-9-7-8-10-26(25)28(20-6-2)34(31,32)24-17-13-22(4)14-18-24/h5-18H,1-2,19-20H2,3-4H3
PubChem CID	3453336
ChEMBL	CHEMBL604277
IUPHAR	N/A
BindingDB	50305737
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<60000.0 nM	PMID20004096	BindingDB,ChEMBL
IC50	59.0 nM	PMID20004096	BindingDB,ChEMBL
IC50	300.0 nM	PMID20004096	BindingDB,ChEMBL

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