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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	Rattus norvegicus (Rat)
Gene	C5ar1
Synonym	C5A complement C5a receptor CD88 C5R1 C5aR1 C5aR C5a1 receptor C5a-R C5a anaphylatoxin chemotactic receptor complement component 5a receptor 1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	352
Amino acid sequence	MDPISNDSSEITYDYSDGTPNPDMPADGVYIPKMEPGDIAALIIYLAVFLVGVTGNALVVWVTAFEAKRTVNAIWFLNLAVADLLSCLALPILFTSIVKHNHWPFGDQACIVLPSLILLNMYSSILLLATISADRFLLVFKPIWCQKFRRPGLAWMACGVTWVLALLLTIPSFVFRRIHKDPYSDSILCNIDYSKGPFFIEKAIAILRLMVGFVLPLLTLNICYTFLLIRTWSRKATRSTKTLKVVMAVVTCFFVFWLPYQVTGVILAWLPRSSSTFQSVERLNSLCVSLAYINCCVNPIIYVMAGQGFHGRLRRSLPSIIRNVLSEDSLGRDSKSFTRSTMDTSTQKSQAV
UniProt	P97520
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL5770
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL595990
Molecular formula	C22H24N2O4S2
IUPAC name	N,4-dimethyl-N-[2-[methyl-(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
Molecular weight	444.564
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	4.1
Synonyms	AC1Q6V82 methyl(2-{methyl[(4-methylphenyl)sulfonyl]amino}phenyl)[(4-methylphenyl)sulfon yl]amine NSC-101062 p-Toluenesulfonamide,N'-o-phenylenebis[N-methyl- CBDivE_001423 N,4-dimethyl-N-{2-[N-methyl(4-methylbenzene)sulfonamido]phenyl}benzene-1-sulfonamide AC1L6DHM DTXSID20295299 N,N'-Ditosyl-N,N'-dimethyl-1,2-phenylenediamine NSC101062 AKOS002161609 MolPort-000-421-353 ST50036099 29627-62-1 N,N''-(1,2-phenylene)bis(N-methyl-1-phenylmethanesulfonamide) AC1Q3X2Z MCULE-1311888097 N,N-o-phenylene-bis(p-toluenesulfonamide) Oprea1_370376 BDBM50305735 N,4-dimethyl-N-[2-[methyl-(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide ZINC636919 n,n'-1,2-phenylenebis(n,4-dimethylbenzenesulfonamide) [ Show all ]
Inchi Key	WOBGBOUAUABUFZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H24N2O4S2/c1-17-9-13-19(14-10-17)29(25,26)23(3)21-7-5-6-8-22(21)24(4)30(27,28)20-15-11-18(2)12-16-20/h5-16H,1-4H3
PubChem CID	265219
ChEMBL	CHEMBL595990
IUPHAR	N/A
BindingDB	50305735
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<60000.0 nM	PMID20004096	BindingDB,ChEMBL

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