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 | CHEMBL412249 |
---|---|
Molecular formula | C53H80N14O15S |
IUPAC name | (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid |
Molecular weight | 1185.37 |
Hydrogen bond acceptor | 19 |
Hydrogen bond donor | 16 |
XlogP | -7.1 |
Synonyms | BDBM50033560 Tyr-Ser-Phe-Lys-Asp-Met-Pro-Ala-D-Ala-Arg |
Inchi Key | AVUWROMNAKGUPJ-ABXBZLCRSA-N |
Inchi ID | InChI=1S/C53H80N14O15S/c1-29(43(72)59-30(2)44(73)63-37(52(81)82)14-9-22-58-53(56)57)60-50(79)41-15-10-23-67(41)51(80)36(20-24-83-3)62-48(77)39(27-42(70)71)65-46(75)35(13-7-8-21-54)61-47(76)38(26-31-11-5-4-6-12-31)64-49(78)40(28-68)66-45(74)34(55)25-32-16-18-33(69)19-17-32/h4-6,11-12,16-19,29-30,34-41,68-69H,7-10,13-15,20-28,54-55H2,1-3H3,(H,59,72)(H,60,79)(H,61,76)(H,62,77)(H,63,73)(H,64,78)(H,65,75)(H,66,74)(H,70,71)(H,81,82)(H4,56,57,58)/t29-,30+,34-,35-,36-,37-,38-,39-,40-,41-/m0/s1 |
PubChem CID | 10374110 |
ChEMBL | CHEMBL412249 |
IUPHAR | N/A |
BindingDB | 50033560 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | <1000000.0 nM | PMID7658455 | BindingDB,ChEMBL |
EC50 | 5600.0 nM | PMID7658455 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218