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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	CHEMBL3647026
Molecular formula	C28H33ClN8O
IUPAC name	6-(4-chloro-5-cyclopropyl-2-methylpyrazol-3-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-[(2S,3R)-3-methoxy-2-methylazetidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
Molecular weight	533.077
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.4
Synonyms	US8846656, 69-I BDBM134594 SCHEMBL15105085
Inchi Key	DESIJHPAUGYDSK-HRAATJIYSA-N
Inchi ID	InChI=1S/C28H33ClN8O/c1-14-6-9-20-23(15(2)32-33-20)22(14)26-30-19-10-11-36(28-24(29)25(17-7-8-17)34-35(28)4)12-18(19)27(31-26)37-13-21(38-5)16(37)3/h6,9,16-17,21H,7-8,10-13H2,1-5H3,(H,32,33)/t16-,21+/m0/s1
PubChem CID	89685923
ChEMBL	CHEMBL3647026
IUPHAR	N/A
BindingDB	134594
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	4.0 nM	, None	BindingDB,ChEMBL

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