Target
C5a anaphylatoxin chemotactic receptor 1
Ligand
BDBM50008232
Substrate
n/a
Meas. Tech.
ChEBML_41471
Ki
10000±n/a nM
Citation
 Kawai, MQuincy, DALane, BMollison, KWOr, YSLuly, JRCarter, GW Structure-function studies in a series of carboxyl-terminal octapeptide analogues of anaphylatoxin C5a. J Med Chem 35:220-3 (1992) [PubMed]  Article 
Target
Name:
C5a anaphylatoxin chemotactic receptor 1
Synonyms:
C5AR | C5AR1 | C5AR1_HUMAN | C5R1 | C5a anaphylatoxin chemotactic receptor | C5a anaphylatoxin chemotactic receptor (C5aR) | C5a-R | CD_antigen=CD88
Type:
Enzyme
Mol. Mass.:
39347.68
Organism:
Homo sapiens (Human)
Description:
P21730
Residue:
350
Sequence:
MDSFNYTTPDYGHYDDKDTLDLNTPVDKTSNTLRVPDILALVIFAVVFLVGVLGNALVVWVTAFEAKRTINAIWFLNLAVADFLSCLALPILFTSIVQHHHWPFGGAACSILPSLILLNMYASILLLATISADRFLLVFKPIWCQNFRGAGLAWIACAVAWGLALLLTIPSFLYRVVREEYFPPKVLCGVDYSHDKRRERAVAIVRLVLGFLWPLLTLTICYTFILLRTWSRRATRSTKTLKVVVAVVASFFIFWLPYQVTGIMMSFLEPSSPTFLLLKKLDSLCVSFAYINCCINPIIYVVAGQGFQGRLRKSLPSLLRNVLTEESVVRESKSFTRSTVDTMAQKTQAV
  
Inhibitor
Name:
BDBM50008232
Synonyms:
2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionylamino]-6-amino-hexanoylamino}-3-carboxy-propionylamino)-3-cyclohexyl-propionylamino]-3-cyclohexyl-propionylamino}-4-methyl-pentanoylamino)-propionylamino]-5-guanidino-pentanoic acid | CHEMBL3350717
Type:
Small organic molecule
Emp. Form.:
C54H90N14O12
Mol. Mass.:
1127.379
SMILES:
C[C@@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:38.41,55.58,16.17,wD:27.29,5.5,46.49,69.73,1.0,(28.72,-8.78,;28.75,-10.31,;27.44,-11.11,;26.09,-10.37,;26.06,-8.83,;24.76,-11.16,;24.8,-12.7,;26.15,-13.44,;26.18,-14.99,;27.54,-15.73,;28.85,-14.93,;28.81,-13.38,;27.46,-12.64,;23.42,-10.42,;22.1,-11.22,;22.13,-12.75,;20.75,-10.48,;20.72,-8.94,;22.04,-8.15,;22,-6.6,;23.32,-5.81,;24.67,-6.55,;24.7,-8.09,;23.38,-8.89,;19.43,-11.27,;18.08,-10.53,;18.06,-9,;16.77,-11.33,;16.8,-12.88,;18.16,-13.62,;19.47,-12.82,;20.82,-13.56,;20.85,-15.1,;19.54,-15.9,;18.19,-15.16,;15.42,-10.59,;14.1,-11.38,;14.14,-12.93,;12.75,-10.64,;12.72,-9.11,;14.04,-8.31,;15.38,-9.05,;14.01,-6.78,;11.44,-11.45,;10.09,-10.7,;10.05,-9.16,;8.78,-11.51,;8.81,-13.04,;10.16,-13.79,;10.18,-15.32,;11.53,-16.06,;11.57,-17.6,;7.43,-10.77,;6.11,-11.56,;6.14,-13.1,;4.76,-10.82,;4.72,-9.28,;6.04,-8.48,;7.46,-9.08,;8.46,-7.92,;7.67,-6.59,;6.17,-6.94,;3.45,-11.62,;2.1,-10.88,;.78,-11.67,;2.06,-9.34,;30.1,-11.05,;30.13,-12.59,;31.41,-10.26,;32.76,-11,;32.79,-12.53,;34.14,-13.27,;34.18,-14.81,;35.53,-15.56,;35.56,-17.09,;36.91,-17.83,;34.24,-17.9,;34.08,-10.2,;35.43,-10.94,;34.05,-8.66,)|
Structure:
Search PDB for entries with ligand similarity: