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GPCR

NameAtypical chemokine receptor 3
SpeciesHomo sapiens (Human)
GeneACKR3
SynonymC-X-C chemokine receptor type 7
Cxcr7
CXCR-7
CXC-R7
chemokine (C-X-C motif) receptor 7
[ Show all ]
DiseaseAsthma
Cancer
Length362
Amino acid sequenceMDLHLFDYSEPGNFSDISWPCNSSDCIVVDTVMCPNMPNKSVLLYTLSFIYIFIFVIGMIANSVVVWVNIQAKTTGYDTHCYILNLAIADLWVVLTIPVWVVSLVQHNQWPMGELTCKVTHLIFSINLFGSIFFLTCMSVDRYLSITYFTNTPSSRKKMVRRVVCILVWLLAFCVSLPDTYYLKTVTSASNNETYCRSFYPEHSIKEWLIGMELVSVVLGFAVPFSIIAVFYFLLARAISASSDQEKHSSRKIIFSYVVVFLVCWLPYHVAVLLDIFSILHYIPFTCRLEHALFTALHVTQCLSLVHCCVNPVLYSFINRNYRYELMKAFIFKYSAKTGLTKLIDASRVSETEYSALEQSTK
UniProtP25106
Protein Data BankN/A
GPCR-HGmod modelP25106
3D structure modelThis predicted structure model is from GPCR-EXP P25106.
BioLiPN/A
Therapeutic Target DatabaseT10491
ChEMBLCHEMBL2010631
IUPHAR80
DrugBankN/A

Ligand

NameCHEMBL3971888
Molecular formulaC23H30ClN5O2
IUPAC nameN-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-3-chloro-6-methylpyridazine-4-carboxamide
Molecular weight443.976
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.6
Synonyms3-Chloro-6-methyl-pyridazine-4-carboxylic acid [3-(4-tert-butylcarbamoyl-piperidin-1-ylmethyl)-phenyl]-amide
3-Chloro-6-methyl-pyridazine-4-carboxylic acid[3-(4-tert-butylcarbamoyl-piperidin-1-ylmethyl)-phenyl]-amide
BDBM243703
BQFLAJAPIVRVIL-UHFFFAOYSA-N
SCHEMBL17270155
[ Show all ]
Inchi KeyBQFLAJAPIVRVIL-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H30ClN5O2/c1-15-12-19(20(24)28-27-15)22(31)25-18-7-5-6-16(13-18)14-29-10-8-17(9-11-29)21(30)26-23(2,3)4/h5-7,12-13,17H,8-11,14H2,1-4H3,(H,25,31)(H,26,30)
PubChem CID118521865
ChEMBLCHEMBL3971888
IUPHARN/A
BindingDB243703
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
EC5051.0 nM, NoneBindingDB,ChEMBL

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