You can:
Name | C5a anaphylatoxin chemotactic receptor 1 |
---|---|
Species | Homo sapiens (Human) |
Gene | C5AR1 |
Synonym | complement component 5a receptor 1 complement C5a receptor C5A CD88 C5R1 [ Show all ] |
Disease | Vasculitis Atopic dermatitis Inflammatory disease Rheumatoid arthritis |
Length | 350 |
Amino acid sequence | MDSFNYTTPDYGHYDDKDTLDLNTPVDKTSNTLRVPDILALVIFAVVFLVGVLGNALVVWVTAFEAKRTINAIWFLNLAVADFLSCLALPILFTSIVQHHHWPFGGAACSILPSLILLNMYASILLLATISADRFLLVFKPIWCQNFRGAGLAWIACAVAWGLALLLTIPSFLYRVVREEYFPPKVLCGVDYSHDKRRERAVAIVRLVLGFLWPLLTLTICYTFILLRTWSRRATRSTKTLKVVVAVVASFFIFWLPYQVTGIMMSFLEPSSPTFLLLKKLDSLCVSFAYINCCINPIIYVVAGQGFQGRLRKSLPSLLRNVLTEESVVRESKSFTRSTVDTMAQKTQAV |
UniProt | P21730 |
Protein Data Bank | 6c1r, 6c1q, 5o9h |
GPCR-HGmod model | P21730 |
3D structure model | This structure is from PDB ID 6c1r. |
BioLiP | BL0415511, BL0415514, BL0415513, BL0415512, BL0401194,BL0401195,BL0401196, |
Therapeutic Target Database | T15439 |
ChEMBL | CHEMBL2373 |
IUPHAR | 32 |
DrugBank | N/A |
Name | CHEMBL3936892 |
---|---|
Molecular formula | C31H38N6O |
IUPAC name | (3S)-4-[2-(3,5-dimethyl-2H-indazol-4-yl)-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-methylmorpholine |
Molecular weight | 510.686 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 6.0 |
Synonyms | N/A |
Inchi Key | BQPSULXVYOMPJL-NRFANRHFSA-N |
Inchi ID | InChI=1S/C31H38N6O/c1-18(2)23-9-7-19(3)27(15-23)36-12-11-25-24(16-36)31(37-13-14-38-17-21(37)5)33-30(32-25)28-20(4)8-10-26-29(28)22(6)34-35-26/h7-10,15,18,21H,11-14,16-17H2,1-6H3,(H,34,35)/t21-/m0/s1 |
PubChem CID | 134149176 |
ChEMBL | CHEMBL3936892 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 2.0 nM | None | ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417