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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	fMet-Leu-Phe receptor
Species	Homo sapiens (Human)
Gene	FPR1
Synonym	NFPR N-formylpeptide chemoattractant receptor N-formyl peptide receptor FPR1 FPR formyl peptide receptor 1 fMLP receptor fMLF-R [ Show all ]
Disease	Inflammatory disease Peptic ulcer
Length	350
Amino acid sequence	METNSSLPTNISGGTPAVSAGYLFLDIITYLVFAVTFVLGVLGNGLVIWVAGFRMTHTVTTISYLNLAVADFCFTSTLPFFMVRKAMGGHWPFGWFLCKFVFTIVDINLFGSVFLIALIALDRCVCVLHPVWTQNHRTVSLAKKVIIGPWVMALLLTLPVIIRVTTVPGKTGTVACTFNFSPWTNDPKERINVAVAMLTVRGIIRFIIGFSAPMSIVAVSYGLIATKIHKQGLIKSSRPLRVLSFVAAAFFLCWSPYQVVALIATVRIRELLQGMYKEIGIAVDVTSALAFFNSCLNPMLYVFMGQDFRERLIHALPASLERALTEDSTQTSDTATNSTLPSAEVELQAK
UniProt	P21462
Protein Data Bank	N/A
GPCR-HGmod model	P21462
3D structure model	This predicted structure model is from GPCR-EXP P21462.
BioLiP	N/A
Therapeutic Target Database	T87831
ChEMBL	CHEMBL3359
IUPHAR	222
DrugBank	BE0000995

Ligand

Name	59880-97-6
Molecular formula	C21H31N3O5S
IUPAC name	(2S)-2-[[(2S)-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
Molecular weight	437.555
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	1.5
Synonyms	34065-EP2295055A2 C-22333 D0M0YH fMLP (misnomer but widely used) HY-P0224 MolPort-003-934-280 PRQROPMIIGLWRP-BZSNNMDCSA-N CHEBI:53490 F-Met-leu-phe formyl-Met-Leu-Phe L-Phenylalanine, N-formyl-L-methionyl-L-leucyl- N-Formyl-Met-Leu-Phe, >=97% (HPLC) ZINC4099172 B6888 Chemotactic peptide fMLF GTPL1022 MLS001361389 N-FORMYLMETHIONINE LEUCYL-PHENYLALANINE (S)-2-[(S)-2-((S)-2-Formylamino-4-methylsulfanyl-butyrylamino)-4-methyl-pentanoylamino]-3-phenyl-propionic acid 34065-EP2311453A1 C11596 D0XF0A For-Met-Leu-Phe-OH KS-000019CN N-Formyl-L-methionyl-L-leucyl-L-phenylalanine SCHEMBL39529 AC1L9EDZ fMet-Leu-Phe formyl-methionyl-leucyl-phenylalanine LS-193196 N-Formyl-Met-Leu-Phe, BioXtra, >=99.0% (TLC) (2S)-2-[[(2S)-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid BDBM50050937 CS-6489 FMLP HMS2235B23 MLS002207097 n-formylmethionine-leucine-phenylalanine CC-25639 DTXSID9041077 Formyl met leu phe L-Phenylalanine, N-(N-(N-formyl-L-methionyl)-L-leucyl)- N-Formyl-Met-Leu-Phe SMR000857394 AKOS024456858 CHEMBL267179 fMetLeuPhe FT-0640642 MFCD00036780 N-Formyl-methionyl-leucyl-phenylalanine (S)-2-((S)-2-((S)-2-Formamido-4-(methylthio)butanamido)-4-methylpentanamido)-3-phenylpropanoic acid [ Show all ]
Inchi Key	PRQROPMIIGLWRP-BZSNNMDCSA-N
Inchi ID	InChI=1S/C21H31N3O5S/c1-14(2)11-17(23-19(26)16(22-13-25)9-10-30-3)20(27)24-18(21(28)29)12-15-7-5-4-6-8-15/h4-8,13-14,16-18H,9-12H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)(H,28,29)/t16-,17-,18-/m0/s1
PubChem CID	443295
ChEMBL	CHEMBL267179
IUPHAR	1022
BindingDB	50050937
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	0.0630957 - 0.0794328 nM	PMID1262785, PMID7387981	IUPHAR
EC50	10.0 nM	PMID19639995	BindingDB,ChEMBL
EC50	20.0 nM	PMID8676333	BindingDB,ChEMBL
IC50	20.0 nM	PMID8676333	BindingDB,ChEMBL
Kd	3.0 nM	PMID25587631	ChEMBL
Kd	3.0 nM	PMID25587631	BindingDB
Ki	42.0 nM	PMID17475488	BindingDB,ChEMBL

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