UCSF

ZINC49780797

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2010 44 No

Popular Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]am (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.69 5.32 -67.37 10 15 0 249 626.8 21 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CFAB-1-E Complement Factor B (cluster #1 Of 1), Eukaryotic Eukaryotes 3000 0.18 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CFAB_HUMAN P00751 Complement Factor B, Human 3000 0.18 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of C3 and C5
Alternative complement activation
Regulation of Complement cascade

Analogs ( Draw Identity 99% 90% 80% 70% )