UCSF

ZINC05411474

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 43 No

Popular Name: 2-[2-[2-amino-3-(1H-indol-3-yl)propanoyl]amino-3-(1H-indol-3-yl)propanoyl]amino-3-(1H-indol-3-yl)pro 2-[2-[2-amino-3-(1H-indol-3-yl)p…

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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) 1.01 -6.74 -68.15 8 10 0 173 576.657 11 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
S15A2-1-E Solute Carrier Family 15 Member 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 300 0.21 ADME/T ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
S15A2_HUMAN Q16348 Solute Carrier Family 15 Member 2, Human 300 0.21 ADME/T ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Proton/oligonucleotide cotransporters

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

No pre-computed analogs available. Try a structural similarity search.