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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL2180528
Molecular formula	C23H27ClN2O2
IUPAC name	N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
Molecular weight	398.931
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	5.0
Synonyms	TYQNFWIJWOXJPV-OAQYLSRUSA-N BDBM50399208 SCHEMBL2159606 (R)-N-(1-(4-(4-Chlorophenyl)piperidin-1-yl)-3-methyl-1-oxobutan-2-yl)benzamide
Inchi Key	TYQNFWIJWOXJPV-OAQYLSRUSA-N
Inchi ID	InChI=1S/C23H27ClN2O2/c1-16(2)21(25-22(27)19-6-4-3-5-7-19)23(28)26-14-12-18(13-15-26)17-8-10-20(24)11-9-17/h3-11,16,18,21H,12-15H2,1-2H3,(H,25,27)/t21-/m1/s1
PubChem CID	24758044
ChEMBL	CHEMBL2180528
IUPHAR	N/A
BindingDB	50399208
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	15.0 nM	PMID23075267	BindingDB,ChEMBL
IC50	28.0 nM	PMID23075267	BindingDB,ChEMBL
IC50	30.0 nM	PMID23707259	BindingDB,ChEMBL
IC50	55.0 nM	PMID23075267	BindingDB
IC50	78.0 nM	PMID23707259, PMID23075267	BindingDB,ChEMBL
IC50	85.0 nM	PMID23075267	BindingDB,ChEMBL

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