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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	CHEMBL344751
Molecular formula	C26H28N2OS
IUPAC name	5-(4-hydroxy-4-thiophen-2-ylpiperidin-1-yl)-2,2-diphenylpentanenitrile
Molecular weight	416.583
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.7
Synonyms	BDBM50082693 SCHEMBL9111106 5-(4-Hydroxy-4-thiophen-2-yl-piperidin-1-yl)-2,2-diphenyl-pentanenitrile
Inchi Key	AMWWMOSIDFEYQX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H28N2OS/c27-21-25(22-9-3-1-4-10-22,23-11-5-2-6-12-23)14-8-17-28-18-15-26(29,16-19-28)24-13-7-20-30-24/h1-7,9-13,20,29H,8,14-19H2
PubChem CID	10788075
ChEMBL	CHEMBL344751
IUPHAR	N/A
BindingDB	50082693
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	1020.0 nM	PMID10579830	BindingDB,ChEMBL

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