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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	CHEMBL3647020
Molecular formula	C33H43N7O
IUPAC name	(3S)-1-[2-(3,5-dimethyl-2H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-4-methoxy-N,N-dimethylpyrrolidin-3-amine
Molecular weight	553.755
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	5.7
Synonyms	N/A
Inchi Key	CHAJUOPMJHESDM-XLTVJXRZSA-N
Inchi ID	InChI=1S/C33H43N7O/c1-19(2)23-11-9-20(3)27(15-23)39-14-13-25-24(16-39)33(40-17-28(38(6)7)29(18-40)41-8)35-32(34-25)30-21(4)10-12-26-31(30)22(5)36-37-26/h9-12,15,19,28-29H,13-14,16-18H2,1-8H3,(H,36,37)/t28-,29?/m0/s1
PubChem CID	122196638
ChEMBL	CHEMBL3647020
IUPHAR	N/A
BindingDB	134588
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

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

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