Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

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

You can:

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

NameCHEMBL467571
Molecular formulaC28H37ClN2O3
IUPAC nameN-[1-(4-chlorophenyl)-3-(dimethylamino)propan-2-yl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-ethylbenzamide
Molecular weight485.065
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP5.6
Synonyms(+/-)-N-(1-(4-chlorophenyl)-3-(dimethylamino)propan-2-yl)-2-ethyl-N-(1,4-dioxaspiro[4.5]decan-8-yl)benzamide
BDBM50266130
Inchi KeyDJERTHKDACYGDN-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H37ClN2O3/c1-4-22-7-5-6-8-26(22)27(32)31(24-13-15-28(16-14-24)33-17-18-34-28)25(20-30(2)3)19-21-9-11-23(29)12-10-21/h5-12,24-25H,4,13-20H2,1-3H3
PubChem CID44581547
ChEMBLCHEMBL467571
IUPHARN/A
BindingDB50266130
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity0.63 nMPMID18804369ChEMBL
Activity17.0 nMPMID18804369ChEMBL
Activity178.0 nMPMID18804369ChEMBL
Activity4800.0 nMPMID18804369ChEMBL
IC5025.0 nMPMID18804369BindingDB,ChEMBL
IC5027.0 nMPMID18804369BindingDB,ChEMBL

yangzhanglabumich.edu | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218