compstatin

Ligand id: 9218

Name: compstatin

Structure and Physico-chemical Properties

2D Structure
Classification
Compound class Peptide or derivative
IUPAC Name
2-[(4R,7S,10S,13S,19S,22S,25S,28S,31S,34R)-4-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]-34-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-25-(3-amino-3-oxopropyl)-7-[3-(diaminomethylideneamino)propyl]-10,13-bis(1H-imidazol-5-ylmethyl)-19-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-28,31-di(propan-2-yl)-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacont-22-yl]acetic acid
Database Links
BindingDB Ligand 50241352
CAS Registry No. 206645-99-0 (source: PubChem)
ChEMBL Ligand CHEMBL266963
PubChem CID 25082538
Search Google for chemical match using the InChIKey RDTRHBCZFDCUPW-KWICJJCGSA-N
Search Google for chemicals with the same backbone RDTRHBCZFDCUPW
Search UniChem for chemical match using the InChIKey RDTRHBCZFDCUPW-KWICJJCGSA-N
Search UniChem for chemicals with the same backbone RDTRHBCZFDCUPW
Comments
Compstatin is a cyclic 13 amino acid peptide inhibitor of complement component 3 (C3) [4-5]. Compstatin and analogues are being examined for immunomodulatory activity [1-2,6] in inflammatory and degenerative diseases [3].
HELM annotation is PEPTIDE1{I.C.V.V.Q.D.W.G.H.H.R.C.T.[am]}$PEPTIDE1,PEPTIDE1,2:R3-12:R3$$$
IUPAC condensed annotation is H-Ile-Cys(1)-Val-Val-Gln-Asp-Trp-Gly-His-His-Arg-Cys(1)-Thr-NH2