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GPCR

NameC-C chemokine receptor type 1
SpeciesMus musculus (Mouse)
GeneCcr1
SynonymMIP1aR
MIP-1alphaR
MIP-1alpha/RANTES
MIP-1alpha-R
macrophage inflammatory protein-1 alpha receptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length355
Amino acid sequenceMEISDFTEAYPTTTEFDYGDSTPCQKTAVRAFGAGLLPPLYSLVFIIGVVGNVLVILVLMQHRRLQSMTSIYLFNLAVSDLVFLFTLPFWIDYKLKDDWIFGDAMCKLLSGFYYLGLYSEIFFIILLTIDRYLAIVHAVFALRARTVTFGIITSIITWALAILASMPALYFFKAQWEFTHRTCSPHFPYKSLKQWKRFQALKLNLLGLILPLLVMIICYAGIIRILLRRPSEKKVKAVRLIFAITLLFFLLWTPYNLSVFVSAFQDVLFTNQCEQSKQLDLAMQVTEVIAYTHCCVNPIIYVFVGERFWKYLRQLFQRHVAIPLAKWLPFLSVDQLERTSSISPSTGEHELSAGF
UniProtP51675
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3872
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL397910
Molecular formulaC30H29ClFN5O4
IUPAC name3-[5-chloro-2-[2-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-oxoethoxy]anilino]-4-(pyridin-3-ylmethylamino)cyclobut-3-ene-1,2-dione
Molecular weight578.041
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP3.9
SynonymsBDBM50210976
(R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-2-oxoethoxy)-5-chlorophenylamino)-4-(pyridin-3-ylmethylamino)cyclobut-3-ene-1,2-dione
Inchi KeyCYGAJNKOYQUXNL-LJQANCHMSA-N
Inchi IDInChI=1S/C30H29ClFN5O4/c1-19-16-36(17-20-4-7-23(32)8-5-20)11-12-37(19)26(38)18-41-25-9-6-22(31)13-24(25)35-28-27(29(39)30(28)40)34-15-21-3-2-10-33-14-21/h2-10,13-14,19,34-35H,11-12,15-18H2,1H3/t19-/m1/s1
PubChem CID44430755
ChEMBLCHEMBL397910
IUPHARN/A
BindingDB50210976
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC501000.0 nMPMID17446072BindingDB,ChEMBL

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