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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	BDBM50290463
Molecular formula	C28H43N7O3
IUPAC name	2-[3-[3-[(2R)-3-cyclohexyl-1-[4-(2,6-dimethylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-4-hydroxy-2-oxo-1H-imidazol-5-yl]propyl]guanidine
Molecular weight	525.698
Hydrogen bond acceptor	5
Hydrogen bond donor	4
XlogP	3.2
Synonyms	N-[3-(1-{1-Cyclohexylmethyl-2-[4-(2,6-dimethyl-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-2,5-dioxo-imidazolidin-4-yl)-propyl]-guanidine
Inchi Key	DLAUTKGNEBSDJQ-HSZRJFAPSA-N
Inchi ID	InChI=1S/C28H43N7O3/c1-19-8-6-9-20(2)24(19)33-14-16-34(17-15-33)26(37)23(18-21-10-4-3-5-11-21)35-25(36)22(32-28(35)38)12-7-13-31-27(29)30/h6,8-9,21,23,36H,3-5,7,10-18H2,1-2H3,(H,32,38)(H4,29,30,31)/t23-/m1/s1
PubChem CID	91261187
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50290463
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	40.0 nM	N/A	BindingDB
IC50	220.0 nM	N/A	BindingDB

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