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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	CHEMBL267491
Molecular formula	C41H61N11O7
IUPAC name	(2S)-2-acetamido-N-[(3S,9S,12S,15R,18S)-15-(cyclohexylmethyl)-9-[3-(diaminomethylideneamino)propyl]-12-(1H-indol-3-ylmethyl)-2,8,11,14,17-pentaoxo-1,7,10,13,16-pentazabicyclo[16.3.0]henicosan-3-yl]propanamide
Molecular weight	820.009
Hydrogen bond acceptor	8
Hydrogen bond donor	9
XlogP	1.7
Synonyms	Ac-Ala-[Orn-Pro-cha-Trp-Arg] BDBM50192048
Inchi Key	DJQYSPMWBMYXMM-QAACDOCTSA-N
Inchi ID	InChI=1S/C41H61N11O7/c1-24(47-25(2)53)35(54)49-31-16-9-18-44-36(55)30(15-8-19-45-41(42)43)48-38(57)33(22-27-23-46-29-14-7-6-13-28(27)29)50-37(56)32(21-26-11-4-3-5-12-26)51-39(58)34-17-10-20-52(34)40(31)59/h6-7,13-14,23-24,26,30-34,46H,3-5,8-12,15-22H2,1-2H3,(H,44,55)(H,47,53)(H,48,57)(H,49,54)(H,50,56)(H,51,58)(H4,42,43,45)/t24-,30-,31-,32+,33-,34-/m0/s1
PubChem CID	44417199
ChEMBL	CHEMBL267491
IUPHAR	N/A
BindingDB	50192048
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
IC50	23000.0 nM	PMID16876401	BindingDB,ChEMBL

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