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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.
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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	CHEMBL346205
Molecular formula	C20H23ClN2OS
IUPAC name	5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-thiophen-2-ylpentanenitrile
Molecular weight	374.927
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.9
Synonyms	BDBM50082713 SCHEMBL9108439 5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2-thiophen-2-yl-pentanenitrile
Inchi Key	CMFKIUAFSUSUDX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H23ClN2OS/c21-18-7-5-17(6-8-18)20(24)9-12-23(13-10-20)11-1-3-16(15-22)19-4-2-14-25-19/h2,4-8,14,16,24H,1,3,9-13H2
PubChem CID	10547456
ChEMBL	CHEMBL346205
IUPHAR	N/A
BindingDB	50082713
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	8400.0 nM	PMID10579830	BindingDB,ChEMBL
Ki	128.0 nM	PMID10579830	BindingDB,ChEMBL

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