UCSF

ZINC26181326

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 33 Yes

Popular Name: N-[(1S)-1-[[(1S)-1-carbamoyl-3-methyl-butyl]carbamoyl]butyl]-1-(3-cyclohexylpropylamino)cyclopentane N-[(1S)-1-[[(1S)-1-carbamoyl-3-m…

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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) 5.15 8.13 -50.07 6 7 1 118 465.703 14 ↓
Hi High (pH 8-9.5) 5.15 6.96 -14.26 5 7 0 113 464.695 14 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q6MGC4-1-E MHC Class II (cluster #1 Of 1), Eukaryotic Eukaryotes 1260 0.25 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q6MGC4_RAT Q6MGC4 MHC Class II, Rat 1260 0.25 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Prefoldin mediated transfer of substrate to CCT/TriC

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