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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	CHEMBL2322844
Molecular formula	C20H26Cl2N4O2
IUPAC name	1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-chloro-5-methyl-3-propan-2-ylpyrazol-1-yl)ethanone
Molecular weight	425.354
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.2
Synonyms	SCHEMBL3464565 BDBM50427080
Inchi Key	CEWDBXQYSHILEM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H26Cl2N4O2/c1-13(2)20-19(22)14(3)26(23-20)12-18(27)25-9-7-24(8-10-25)15-5-6-16(21)17(11-15)28-4/h5-6,11,13H,7-10,12H2,1-4H3
PubChem CID	57840435
ChEMBL	CHEMBL2322844
IUPHAR	N/A
BindingDB	50427080
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	8.0 nM	PMID23374868	ChEMBL
IC50	8.0 nM	PMID23374868	BindingDB

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