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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	VUF-2274
Molecular formula	C28H29ClN2O
IUPAC name	5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentanenitrile
Molecular weight	445.003
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	5.6
Synonyms	SCHEMBL8891715 1-Piperidinepentanenitrile, 4-(4-chlorophenyl)-4-hydroxy-a,a-diphenyl- BDBM50027216 5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2,2-diphenyl-pentanenitrile L000124 A1-01967 5-(4-(4-chlorophenyl)-4-hydroxy-piperidin-1-yl)-2,2-diphenylpentanenitrile 5-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-2,2-diphenyl-pentanenitrile NCGC00378719-01 AKOS024256779 ZINC3991118 5-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-2,2-diphenylpentanenitrile CHEMBL34166 [ Show all ]
Inchi Key	MEEJEEVTIVAOJP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H29ClN2O/c29-26-14-12-25(13-15-26)28(32)17-20-31(21-18-28)19-7-16-27(22-30,23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-6,8-15,32H,7,16-21H2
PubChem CID	9889700
ChEMBL	CHEMBL34166
IUPHAR	N/A
BindingDB	50027216
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	48.0 nM	PMID11311066	BindingDB,ChEMBL
IC50	630.0 nM	PMID12166951	BindingDB,ChEMBL
IC50	2500.0 nM	PMID10579830	BindingDB,ChEMBL
Ki	52.0 nM	PMID10579830	BindingDB,ChEMBL

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