| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 8th, 2009 | 13 | No |
Popular Name: 2-(3-aminophenyl)-3-mercaptopropanoic acid 2-(3-aminophenyl)-3-mercaptoprop…
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CAS Number: 607832-91-7
| 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 | ↓ |
| 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 |
| 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 |
| Description | Species |
|---|---|
| Insulin processing | |
| Metabolism of Angiotensinogen to Angiotensins |
No pre-computed analogs available. Try a structural similarity search.