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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	CHEMBL200629
Molecular formula	C24H27ClFN3O3
IUPAC name	N-[5-chloro-2-[(E)-3-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-3-oxoprop-1-enyl]-4-methoxyphenyl]acetamide
Molecular weight	459.946
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.4
Synonyms	BDBM50174714 SCHEMBL3164653 (R)-N-(2-(3-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-3-oxoprop-1-enyl)-5-chloro-4-methoxyphenyl)acetamide
Inchi Key	JKAIKDYLOFOXMP-YXMGTMDOSA-N
Inchi ID	InChI=1S/C24H27ClFN3O3/c1-16-14-28(15-18-4-7-20(26)8-5-18)10-11-29(16)24(31)9-6-19-12-23(32-3)21(25)13-22(19)27-17(2)30/h4-9,12-13,16H,10-11,14-15H2,1-3H3,(H,27,30)/b9-6+/t16-/m1/s1
PubChem CID	10434371
ChEMBL	CHEMBL200629
IUPHAR	N/A
BindingDB	50174714
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	50.0 nM	PMID16198561	BindingDB,ChEMBL

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