UCSF

ZINC28897540

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2009 13 No

Other Names:

DNC007919

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) 1.00 3.53 -47.23 2 3 -1 66 196.251 3

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CBPB2-1-E Carboxypeptidase B2 Isoform A (cluster #1 Of 2), Eukaryotic Eukaryotes 785 0.66 Binding ≤ 10μM
CBPN-1-E Carboxypeptidase N, Catalytic Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 357 0.69 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CBPB2_HUMAN Q96IY4 Carboxypeptidase B2 Isoform A, Human 785 0.66 Binding ≤ 1μM
CBPN_HUMAN P15169 Carboxypeptidase N, Catalytic Subunit, Human 357 0.69 Binding ≤ 1μM
CBPB2_HUMAN Q96IY4 Carboxypeptidase B2 Isoform A, Human 785 0.66 Binding ≤ 10μM
CBPN_HUMAN P15169 Carboxypeptidase N, Catalytic Subunit, Human 357 0.69 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Insulin processing
Metabolism of Angiotensinogen to Angiotensins

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

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