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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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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

NameCHEMBL3647026
Molecular formulaC28H33ClN8O
IUPAC name6-(4-chloro-5-cyclopropyl-2-methylpyrazol-3-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-[(2S,3R)-3-methoxy-2-methylazetidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
Molecular weight533.077
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.4
SynonymsBDBM134594
SCHEMBL15105085
US8846656, 69-I
Inchi KeyDESIJHPAUGYDSK-HRAATJIYSA-N
Inchi IDInChI=1S/C28H33ClN8O/c1-14-6-9-20-23(15(2)32-33-20)22(14)26-30-19-10-11-36(28-24(29)25(17-7-8-17)34-35(28)4)12-18(19)27(31-26)37-13-21(38-5)16(37)3/h6,9,16-17,21H,7-8,10-13H2,1-5H3,(H,32,33)/t16-,21+/m0/s1
PubChem CID89685923
ChEMBLCHEMBL3647026
IUPHARN/A
BindingDB134594
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC504.0 nM, NoneBindingDB,ChEMBL

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