UCSF

ZINC04556774

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2005 16 Yes

Popular Name: Leu-Pro Leu-Pro

Find On: PubMed — Wikipedia — Google

CAS Numbers: 67320-92-7 , 87178-63-0

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) -1.64 -2.14 -72.74 3 5 0 88 228.292 4 ↓

Vendor Notes

Note Type Comments Provided By
SOLUBILITY Clear,colorless solution(50mg/ml in methanol) Indofine
PUBCHEM_PATENT_ID EP0291982A2; EP0291982B1; EP0366662A1; EP0387231A2; EP0387231B1; EP0475160B1; EP0482966A3; EP0495049A1; EP0495049B1; EP0551329A1; EP0551329B1; EP0552999A1; EP0621873A1; EP0621873B1; EP0672680A1; EP0691401A1; EP0749495A1; EP0832972A2; EP0832972A3; EP090632 IBM Patent Data
UniProt Database Links PEPQ_ECOLI; PEPQ_PYRFU ChEBI

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 10000 0.44 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 10000 0.44 ADME/T ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Proton/oligonucleotide cotransporters

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