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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	SCHEMBL3053456
Molecular formula	C26H32ClN3O3
IUPAC name	1-[(1R,2S)-2-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carbonyl]cyclopentyl]-3-phenylurea
Molecular weight	470.01
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	4.5
Synonyms	BDBM102315 US8536198, 9 CHEMBL3679639
Inchi Key	BUFFNIJSZBDOGL-VRUMLPLGSA-N
Inchi ID	InChI=1S/C26H32ClN3O3/c1-25(2)17-30(16-15-26(25,33)18-11-13-19(27)14-12-18)23(31)21-9-6-10-22(21)29-24(32)28-20-7-4-3-5-8-20/h3-5,7-8,11-14,21-22,33H,6,9-10,15-17H2,1-2H3,(H2,28,29,32)/t21-,22+,26-/m0/s1
PubChem CID	25175448
ChEMBL	CHEMBL3679639
IUPHAR	N/A
BindingDB	102315
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	11.5 nM	, None	BindingDB,ChEMBL

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