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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	C-C chemokine receptor type 1
Species	Homo sapiens (Human)
Gene	CCR1
Synonym	macrophage inflammatory protein-1 alpha receptor MIP-1alpha-R MIP-1alpha/RANTES MIP-1alphaR MIP1aR RANTES-R Macrophage inflammatory protein 1-alpha receptor LD78 receptor HM145 C-C CKR-1 CC CKR1 CC-CKR-1 CCR-1 CCR1 CD191 CKR1 CMKBR1 [ Show all ]
Disease	Autoimmune diabetes Rheumatoid arthritis Chronic obstructive pulmonary disease
Length	355
Amino acid sequence	METPNTTEDYDTTTEFDYGDATPCQKVNERAFGAQLLPPLYSLVFVIGLVGNILVVLVLVQYKRLKNMTSIYLLNLAISDLLFLFTLPFWIDYKLKDDWVFGDAMCKILSGFYYTGLYSEIFFIILLTIDRYLAIVHAVFALRARTVTFGVITSIIIWALAILASMPGLYFSKTQWEFTHHTCSLHFPHESLREWKLFQALKLNLFGLVLPLLVMIICYTGIIKILLRRPNEKKSKAVRLIFVIMIIFFLFWTPYNLTILISVFQDFLFTHECEQSRHLDLAVQVTEVIAYTHCCVNPVIYAFVGERFRKYLRQLFHRRVAVHLVKWLPFLSVDRLERVSSTSPSTGEHELSAGF
UniProt	P32246
Protein Data Bank	N/A
GPCR-HGmod model	P32246
3D structure model	This predicted structure model is from GPCR-EXP P32246.
BioLiP	N/A
Therapeutic Target Database	T16016
ChEMBL	CHEMBL2413
IUPHAR	58
DrugBank	N/A

Ligand

Name	EPPTB
Molecular formula	C20H21F3N2O2
IUPAC name	N-(3-ethoxyphenyl)-4-pyrrolidin-1-yl-3-(trifluoromethyl)benzamide
Molecular weight	378.395
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.6
Synonyms	AKOS025142012 EPPTB, >=95% (HPLC) NCGC00387175-01 Benzamide, N-(3-ethoxyphenyl)-4-(1-pyrrolidinyl)-3-(trifluoromethyl)- n-(3-ethoxy-phenyl)-4-pyrrolidin-1-yl-3-trifluoro-methyl-benzamide RO5212773 D05GOP N-(3-ethoxyphenyl)-4-(pyrrolidin-1-yl)-3-(trifluoromethyl)benzamide AS-53746 GTPL5457 Ro 5212773 (N-(3-Ethoxy-phenyl)-4-pyrrolidin-1-yl-3-trifluoromethyl-benzamide N-(3-Ethoxyphenyl)-3-(trifluoromethyl)-4-(pyrrolidine-1-yl)benzamide SCHEMBL3647615 N-(3-Ethoxyphenyl)-4-pyrrolidin-1-yl-3-trifluoromethyl-benzamide BDBM50336205 MolPort-028-751-722 Ro-5212773 1110781-88-8 CHEMBL1669669 N-(3-Ethoxyphenyl)-4-(1-pyrrolidinyl)-3-(trifluoromethyl)benzamide ZINC66099084 [ Show all ]
Inchi Key	KLFVWQCQUXXLOU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H21F3N2O2/c1-2-27-16-7-5-6-15(13-16)24-19(26)14-8-9-18(25-10-3-4-11-25)17(12-14)20(21,22)23/h5-9,12-13H,2-4,10-11H2,1H3,(H,24,26)
PubChem CID	25175634
ChEMBL	CHEMBL1669669
IUPHAR	5457
BindingDB	50336205
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	0.0 %	PMID21237643	ChEMBL

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