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CHEBI:144869 - PMX-205

ChEBI IDCHEBI:144869
ChEBI NamePMX-205
Stars
DefinitionA homodetic cyclic peptide resulting from the formal condensation of the carboxy group of N2-(3-phenylpropanoyl)-L-ornithyl-L-prolyl-3-cyclohexyl-D-alanyl-L-tryptophyl-L-arginine with the 5-amino group of the N2-acylornithyl residue.
Last Modified19 September 2019
Submittersabrina, zfin
DownloadsMolfile
FormulaC45H62N10O6
Net Charge0
Average Mass839.055
Monoisotopic Mass838.48538
SMILES[H][C@@]12CCCN1C(=O)[C@@H](NC(=O)CCc1ccccc1)CCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1cnc3ccccc13)NC(=O)[C@@H](CC1CCCCC1)NC2=O
InChIInChI=1S/C45H62N10O6/c46-45(47)49-24-9-18-34-40(57)48-23-10-19-35(51-39(56)22-21-29-12-3-1-4-13-29)44(61)55-25-11-20-38(55)43(60)54-36(26-30-14-5-2-6-15-30)41(58)53-37(42(59)52-34)27-31-28-50-33-17-8-7-16-32(31)33/h1,3-4,7-8,12-13,16-17,28,30,34-38,50H,2,5-6,9-11,14-15,18-27H2,(H,48,57)(H,51,56)(H,52,59)(H,53,58)(H,54,60)(H4,46,47,49)/t34-,35-,36+,37-,38-/m0/s1
InChIKeyVATFHFJULBPYLM-ILOBPARPSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
antagonist  Substance that attaches to and blocks cell receptors that normally bind naturally occurring substances.
C5a receptor antagonist  Any antagonist of the C5a receptor.
Application:
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
ChEBI Ontology
Outgoing Relation(s)
PMX-205 (CHEBI:144869) has role antagonist (CHEBI:48706)
PMX-205 (CHEBI:144869) has role anti-inflammatory agent (CHEBI:67079)
PMX-205 (CHEBI:144869) has role C5a receptor antagonist (CHEBI:144895)
PMX-205 (CHEBI:144869) is a azamacrocycle (CHEBI:52898)
PMX-205 (CHEBI:144869) is a homodetic cyclic peptide (CHEBI:24613)
IUPAC Name 
N-[(3R,6S,9S,15S,20aS)-9-(3-carbamimidamidopropyl)-3-(cyclohexylmethyl)-6-(1H-indol-3-ylmethyl)-1,4,7,10,16-pentaoxoicosahydropyrrolo[1,2-a][1,4,7,10,13]pentaazacyclooctadecin-15-yl]-3-phenylpropanamide
Synonyms  Source
C5a receptor peptide antagonistSUBMITTER
cyclic hexapeptide complement C5a antagonistChemIDplus
PMX 205ChEBI
hydrocinnamate-(orn-Pro-dcha-Trp-Arg)ChemIDplus
PMX205ChemIDplus
(5→1)-lactam-N2-(1-oxo-3-phenylpropyl)-L-ornithyl-L-prolyl-3-cyclohexyl-D-alanyl-L-tryptophyl-L-arginineChEBI
Registry NumbersSources
CAS:514814-49-4ChemIDplus
Citations