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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	SCHEMBL15105200
Molecular formula	C31H40N8O
IUPAC name	6-(5-cyclopropyl-2-methylpyrazol-3-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-[(4R)-4-methoxy-3,3-dimethylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
Molecular weight	540.716
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.9
Synonyms	US8846656, 23-I BDBM134531
Inchi Key	CGJKBKFUADPKTN-RUZDIDTESA-N
Inchi ID	InChI=1S/C31H40N8O/c1-18-7-10-23-28(19(2)34-35-23)27(18)29-32-22-11-13-38(26-15-24(20-8-9-20)36-37(26)5)16-21(22)30(33-29)39-14-12-25(40-6)31(3,4)17-39/h7,10,15,20,25H,8-9,11-14,16-17H2,1-6H3,(H,34,35)/t25-/m1/s1
PubChem CID	71496479
ChEMBL	N/A
IUPHAR	N/A
BindingDB	134531
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	0.5 nM	N/A	BindingDB

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