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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	Mus musculus (Mouse)
Gene	Ccr1
Synonym	MIP1aR MIP-1alphaR MIP-1alpha/RANTES MIP-1alpha-R macrophage inflammatory protein-1 alpha receptor Macrophage inflammatory protein 1-alpha receptor CMKBR1 CKR1 CD191 CCR1 CCR-1 CC-CKR-1 CC CKR1 C-C CKR-1 RANTES-R [ Show all ]
Disease	N/A for non-human GPCRs
Length	355
Amino acid sequence	MEISDFTEAYPTTTEFDYGDSTPCQKTAVRAFGAGLLPPLYSLVFIIGVVGNVLVILVLMQHRRLQSMTSIYLFNLAVSDLVFLFTLPFWIDYKLKDDWIFGDAMCKLLSGFYYLGLYSEIFFIILLTIDRYLAIVHAVFALRARTVTFGIITSIITWALAILASMPALYFFKAQWEFTHRTCSPHFPYKSLKQWKRFQALKLNLLGLILPLLVMIICYAGIIRILLRRPSEKKVKAVRLIFAITLLFFLLWTPYNLSVFVSAFQDVLFTNQCEQSKQLDLAMQVTEVIAYTHCCVNPIIYVFVGERFWKYLRQLFQRHVAIPLAKWLPFLSVDQLERTSSISPSTGEHELSAGF
UniProt	P51675
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3872
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL200242
Molecular formula	C26H30ClFN4O2
IUPAC name	N-[5-chloro-2-[(E)-3-[3-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-3-oxoprop-1-enyl]phenyl]-2-(dimethylamino)acetamide
Molecular weight	485.0
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.7
Synonyms	BDBM50174710 N-(2-(3-(3-(4-fluorobenzyl)-3,8-diaza-bicyclo[3.2.1]octan-8-yl)-3-oxoprop-1-enyl)-5-chlorophenyl)-2-(dimethylamino)acetamide SCHEMBL5280040 (E)-N-(5-Chloro-2-{3-[3-(4-fluorobenzyl)-3,8-diazabicyclo[3.2.1]oct-8-yl]-3-oxopropenyl}-phenyl)-2-dimethylaminoacetamide PANTVKZNEGNKCZ-WUXMJOGZSA-N SCHEMBL5280032 [ Show all ]
Inchi Key	PANTVKZNEGNKCZ-WUXMJOGZSA-N
Inchi ID	InChI=1S/C26H30ClFN4O2/c1-30(2)17-25(33)29-24-13-20(27)7-5-19(24)6-12-26(34)32-22-10-11-23(32)16-31(15-22)14-18-3-8-21(28)9-4-18/h3-9,12-13,22-23H,10-11,14-17H2,1-2H3,(H,29,33)/b12-6+
PubChem CID	11554849
ChEMBL	CHEMBL200242
IUPHAR	N/A
BindingDB	50174710
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	40.0 nM	PMID16198561	BindingDB,ChEMBL

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