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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	217645-70-0
Molecular formula	C21H24ClFN4O3
IUPAC name	[5-chloro-2-[2-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-oxoethoxy]phenyl]urea
Molecular weight	434.896
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	2.5
Synonyms	BDBM50174703 BX471 EX-A519 N-[5-Chloro-2-[2-[(2R)-4-[(4-fluorophenyl)methyl]-2-methyl-1-piperazinyl]-2-oxoethoxy]phenyl]urea ZK811752 (2R)-1-[[2-[(Aminocarbonyl)amino]-4-chlorophenoxy]acetyl]-4-[(4-fluorophenyl)methyl]-2-methylpiperazine AC1LAE81 BX-471 CHEMBL232656 HY-12080 UNII-76K17ZG4ZN (R)-1-(5-chloro-2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-2-oxoethoxy)phenyl)urea 3511AH B5435 BX-471free base D05XZF MolPort-035-765-692 ZINC22010574 BDBM50208999 C21H24ClFN4O3 FT-0700265 NCGC00370909-03 [5-chloro-2-[2-[(2R)-4-[(4-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]-2-oxo-ethoxy]phenyl]urea (R)-1-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-2-oxoethoxy)-5-chlorophenyl)urea AKOS024457640 BX-471 free base CHEMBL535607 J-690262 Urea, N-(5-chloro-2-(2-((2R)-4-((4-fluorophenyl)methyl)-2-methyl-1-piperazinyl)-2-oxoethoxy)phenyl)- 1-(2-(2-((R)-4-(4-Fluorobenzyl)-2-methylpiperazin-1-yl)-2-oxoethoxy)-5-chlorophenyl)urea BC600614 BX-741 DTXSID10176164 N-[5-chloro-2-[2-[(2R)-4-[(4-fluorophenyl)methyl]-2-methyl-1-piperazinyl]-2-oxoethoxy]phenyl]-Urea ZK-811752 (2R)-1-(((4-Chloro-2-(ureido)phenoxy)methyl)carbonyl)-2-methyl-4-(4-fluorobenzyl)piperazine 76K17ZG4ZN BX 471 GTPL767 SCHEMBL4586646 [5-chloro-2-[2-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-oxoethoxy]phenyl]urea (R)-1-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-2-oxoethoxy)-5-chlorophenyl)urea hydrochloride AOB6547 BX-471 pound ZK 811752 pound(c) CS-3283 KB-81417 Urea, N-[5-chloro-2-[2-[(2R)-4-[(4-fluorophenyl)methyl]-2-methyl-1-piperazinyl]-2-oxoethoxy]phenyl]- [ Show all ]
Inchi Key	XQYASZNUFDVMFH-CQSZACIVSA-N
Inchi ID	InChI=1S/C21H24ClFN4O3/c1-14-11-26(12-15-2-5-17(23)6-3-15)8-9-27(14)20(28)13-30-19-7-4-16(22)10-18(19)25-21(24)29/h2-7,10,14H,8-9,11-13H2,1H3,(H3,24,25,29)/t14-/m1/s1
PubChem CID	512282
ChEMBL	CHEMBL232656
IUPHAR	767
BindingDB	50208999, 50174703
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	615.0 nM	PMID17446072	BindingDB,ChEMBL
IC50	1500.0 nM	PMID16198561	BindingDB
Kd	200.0 nM	PMID22931505	BindingDB,ChEMBL

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