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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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Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL412680
Molecular formula	C54H81N15O16S
IUPAC name	(2S)-2-[[2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight	1228.39
Hydrogen bond acceptor	20
Hydrogen bond donor	17
XlogP	-8.7
Synonyms	BDBM50033575 Tyr-Ser-Phe-Lys-Asp-Met-Gln-Pro-Gly-Arg
Inchi Key	WRSUAEFOSNASPN-JBRKIFEHSA-N
Inchi ID	InChI=1S/C54H81N15O16S/c1-86-24-20-35(47(78)65-36(18-19-42(57)72)52(83)69-23-8-13-41(69)51(82)61-28-43(73)62-37(53(84)85)12-7-22-60-54(58)59)64-49(80)39(27-44(74)75)67-46(77)34(11-5-6-21-55)63-48(79)38(26-30-9-3-2-4-10-30)66-50(81)40(29-70)68-45(76)33(56)25-31-14-16-32(71)17-15-31/h2-4,9-10,14-17,33-41,70-71H,5-8,11-13,18-29,55-56H2,1H3,(H2,57,72)(H,61,82)(H,62,73)(H,63,79)(H,64,80)(H,65,78)(H,66,81)(H,67,77)(H,68,76)(H,74,75)(H,84,85)(H4,58,59,60)/t33-,34-,35-,36-,37-,38-,39-,40-,41-/m0/s1
PubChem CID	10418881
ChEMBL	CHEMBL412680
IUPHAR	N/A
BindingDB	50033575
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	22000.0 nM	PMID7658455	BindingDB,ChEMBL
EC50	42000.0 nM	PMID7658455	BindingDB,ChEMBL
pD2	4.4 -	PMID7932541	ChEMBL

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