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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	CHEMBL409045
Molecular formula	C48H63N9O7
IUPAC name	(2S)-1-[(2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-5-aminopentanoyl]-N-[(2R)-1-[[(2R)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-methyl-1-oxohexan-2-yl]pyrrolidine-2-carboxamide
Molecular weight	878.088
Hydrogen bond acceptor	8
Hydrogen bond donor	8
XlogP	3.6
Synonyms	BDBM50192047 Ac-Phe-Orn-Pro-hle-Trp-Phe-NH2
Inchi Key	CPEOAVXCFOOQLL-YPFSONEJSA-N
Inchi ID	InChI=1S/C48H63N9O7/c1-30(2)22-23-37(44(60)56-41(28-34-29-51-36-19-11-10-18-35(34)36)46(62)55-39(43(50)59)26-32-14-6-4-7-15-32)53-47(63)42-21-13-25-57(42)48(64)38(20-12-24-49)54-45(61)40(52-31(3)58)27-33-16-8-5-9-17-33/h4-11,14-19,29-30,37-42,51H,12-13,20-28,49H2,1-3H3,(H2,50,59)(H,52,58)(H,53,63)(H,54,61)(H,55,62)(H,56,60)/t37-,38+,39-,40+,41-,42+/m1/s1
PubChem CID	44417117
ChEMBL	CHEMBL409045
IUPHAR	N/A
BindingDB	50192047
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Activity	0.0 %	PMID16876401	ChEMBL
IC50	63.0 nM	PMID16876401	BindingDB,ChEMBL

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