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GPCR

NameAtypical chemokine receptor 3
SpeciesHomo sapiens (Human)
GeneACKR3
SynonymRDC-1
GPR159
G-protein coupled receptor RDC1 homolog
G-protein coupled receptor 159
Cxcr7
[ Show all ]
DiseaseCancer
Asthma
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

NameCHEMBL3581264
Molecular formulaC39H51N11O6
IUPAC name2-[3-[(3S,6S,9S,12R,15S)-6-[3-(diaminomethylideneamino)propyl]-12-[(4-hydroxyphenyl)methyl]-3-(naphthalen-2-ylmethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-9-yl]propyl]guanidine
Molecular weight769.908
Hydrogen bond acceptor8
Hydrogen bond donor9
XlogP0.7
SynonymsBDBM50092218
Cyclo(D-Tyr-L-Arg-L-Arg-L-betaNal-L-Pro-)
Inchi KeyAVNDVFCGYOONJV-LUKCZKMGSA-N
Inchi IDInChI=1S/C39H51N11O6/c40-38(41)44-17-3-8-28-33(52)46-29(9-4-18-45-39(42)43)34(53)49-31(22-24-11-14-25-6-1-2-7-26(25)20-24)37(56)50-19-5-10-32(50)36(55)48-30(35(54)47-28)21-23-12-15-27(51)16-13-23/h1-2,6-7,11-16,20,28-32,51H,3-5,8-10,17-19,21-22H2,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H4,40,41,44)(H4,42,43,45)/t28-,29-,30+,31-,32-/m0/s1
PubChem CID16102648
ChEMBLCHEMBL3581264
IUPHARN/A
BindingDB50092218
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
EC5074.0 nMPMID26042340BindingDB,ChEMBL
EC5079.0 nMPMID26042340BindingDB
EC5079.43 nMPMID26042340ChEMBL
EC50125.89 nMPMID26042340ChEMBL
EC50126.0 nMPMID26042340BindingDB
EC50190.0 nMPMID26042340BindingDB,ChEMBL
EC50360.0 nMPMID26042340BindingDB,ChEMBL
EC50398.0 nMPMID26042340BindingDB
EC50398.11 nMPMID26042340ChEMBL
EC501500.0 nMPMID26042340BindingDB,ChEMBL
EC501584.89 nMPMID26042340ChEMBL
EC501585.0 nMPMID26042340BindingDB
EC503500.0 nMPMID26042340BindingDB,ChEMBL
EC503981.0 nMPMID26042340BindingDB
EC503981.07 nMPMID26042340ChEMBL
IC501500.0 nMPMID26042340BindingDB,ChEMBL

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