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GPCR

NameC5a anaphylatoxin chemotactic receptor 1
SpeciesHomo sapiens (Human)
GeneC5AR1
SynonymCD88
complement component 5a receptor 1
C5a anaphylatoxin chemotactic receptor
C5aR1
C5R1
[ Show all ]
DiseaseVasculitis
Rheumatoid arthritis
Inflammatory disease
Atopic dermatitis
Length350
Amino acid sequenceMDSFNYTTPDYGHYDDKDTLDLNTPVDKTSNTLRVPDILALVIFAVVFLVGVLGNALVVWVTAFEAKRTINAIWFLNLAVADFLSCLALPILFTSIVQHHHWPFGGAACSILPSLILLNMYASILLLATISADRFLLVFKPIWCQNFRGAGLAWIACAVAWGLALLLTIPSFLYRVVREEYFPPKVLCGVDYSHDKRRERAVAIVRLVLGFLWPLLTLTICYTFILLRTWSRRATRSTKTLKVVVAVVASFFIFWLPYQVTGIMMSFLEPSSPTFLLLKKLDSLCVSFAYINCCINPIIYVVAGQGFQGRLRKSLPSLLRNVLTEESVVRESKSFTRSTVDTMAQKTQAV
UniProtP21730
Protein Data Bank6c1q, 6c1r, 5o9h
GPCR-HGmod modelP21730
3D structure modelThis structure is from PDB ID 6c1q.
BioLiPBL0415512, BL0415513, BL0415514, BL0401194,BL0401195,BL0401196,, BL0415511
Therapeutic Target DatabaseT15439
ChEMBLCHEMBL2373
IUPHAR32
DrugBankN/A

Ligand

NameCHEMBL3889744
Molecular formulaC29H40N6O
IUPAC name2-(2,6-dimethylphenyl)-4-[(2S,4S)-4-methoxy-2-methylpiperidin-1-yl]-6-(2-methyl-5-propan-2-ylpyrazol-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
Molecular weight488.68
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP5.4
SynonymsN/A
Inchi KeyCKBAYCPZJJQREU-VXKWHMMOSA-N
Inchi IDInChI=1S/C29H40N6O/c1-18(2)25-16-26(33(6)32-25)34-13-12-24-23(17-34)29(35-14-11-22(36-7)15-21(35)5)31-28(30-24)27-19(3)9-8-10-20(27)4/h8-10,16,18,21-22H,11-15,17H2,1-7H3/t21-,22-/m0/s1
PubChem CID134129917
ChEMBLCHEMBL3889744
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC5040.0 nMNoneChEMBL

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