compound 51 [PMID: 19743866]

Ligand id: 8653

Name: compound 51 [PMID: 19743866]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 20
Hydrogen bond donors 11
Rotatable bonds 32
Topological polar surface area 340.7
Molecular weight 796.53
XLogP -0.67
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-4,4-dimethylpentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Synonyms
Ac-RLTbaLAR-H
Database Links
ChEMBL Ligand CHEMBL1089597
GtoPdb PubChem SID 252166853
PubChem CID 46883596
Search Google for chemical match using the InChIKey VIJSPAIQWVPKQZ-BLECARSGSA-N
Search Google for chemicals with the same backbone VIJSPAIQWVPKQZ
Search UniChem for chemical match using the InChIKey VIJSPAIQWVPKQZ-BLECARSGSA-N
Search UniChem for chemicals with the same backbone VIJSPAIQWVPKQZ
Comments
Compound 51 is a hexapeptide which potently inhibits complement factor B [1].