| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 7th, 2010 | 42 | No |
Popular Name: retaspimycin retaspimycin
Find On: PubMed — Wikipedia — Google
CAS Number: 857402-23-4
857402-23-4; D09375; Retaspimycin (USAN/INN)
D09376; Retaspimycin hydrochloride (USAN)
None
| 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) | 2.50 | 2.32 | -12.07 | 7 | 11 | 0 | 173 | 587.714 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Reactome Database Links | REACT_115865 | ChEBI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ENPL-1-E | Heat Shock Protein 90 Beta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 119 | 0.23 | Binding ≤ 10μM |
| HS90A-1-E | Heat Shock Protein HSP 90-alpha (cluster #1 Of 4), Eukaryotic | Eukaryotes | 63 | 0.24 | Binding ≤ 10μM |
| HS90B-1-E | Heat Shock Protein HSP 90-beta (cluster #1 Of 2), Eukaryotic | Eukaryotes | 63 | 0.24 | Binding ≤ 10μM |
| HS90A-1-E | Heat Shock Protein HSP 90-alpha (cluster #1 Of 3), Eukaryotic | Eukaryotes | 27 | 0.25 | Functional ≤ 10μM |
| HS90B-1-E | Heat Shock Protein HSP 90-beta (cluster #1 Of 3), Eukaryotic | Eukaryotes | 27 | 0.25 | Functional ≤ 10μM |
| Z80475-1-O | SK-BR-3 (Breast Adenocarcinoma) (cluster #1 Of 3), Other | Other | 22 | 0.26 | Functional ≤ 10μM |
| Z80493-2-O | SK-OV-3 (Ovarian Carcinoma Cells) (cluster #2 Of 6), Other | Other | 27 | 0.25 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ENPL_CANFA | P41148 | Heat Shock Protein 90 Beta, Canine | 119 | 0.23 | Binding ≤ 1μM |
| HS90A_HUMAN | P07900 | Heat Shock Protein HSP 90-alpha, Human | 63 | 0.24 | Binding ≤ 1μM |
| HS90B_HUMAN | P08238 | Heat Shock Protein HSP 90-beta, Human | 63 | 0.24 | Binding ≤ 1μM |
| ENPL_CANFA | P41148 | Heat Shock Protein 90 Beta, Canine | 119 | 0.23 | Binding ≤ 10μM |
| HS90A_HUMAN | P07900 | Heat Shock Protein HSP 90-alpha, Human | 63 | 0.24 | Binding ≤ 10μM |
| HS90B_HUMAN | P08238 | Heat Shock Protein HSP 90-beta, Human | 63 | 0.24 | Binding ≤ 10μM |
| HS90A_HUMAN | P07900 | Heat Shock Protein HSP 90-alpha, Human | 16 | 0.26 | Functional ≤ 10μM |
| HS90B_HUMAN | P08238 | Heat Shock Protein HSP 90-beta, Human | 16 | 0.26 | Functional ≤ 10μM |
| Z80475 | Z80475 | SK-BR-3 (Breast Adenocarcinoma) | 20 | 0.26 | Functional ≤ 10μM |
| Z80493 | Z80493 | SK-OV-3 (Ovarian Carcinoma Cells) | 16 | 0.26 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| ATF6-alpha activates chaperone genes | |
| Attenuation phase | |
| eNOS activation | |
| EPHA-mediated growth cone collapse | |
| HSF1 activation | |
| HSF1-dependent transactivation | |
| Loss of Nlp from mitotic centrosomes | |
| Loss of proteins required for interphase microtubule organization from the ce | |
| Recruitment of mitotic centrosome proteins and complexes | |
| Regulation of actin dynamics for phagocytic cup formation | |
| Regulation of PLK1 Activity at G2/M Transition | |
| Scavenging by Class A Receptors | |
| Scavenging by Class F Receptors | |
| Sema3A PAK dependent Axon repulsion | |
| Signaling by constitutively active EGFR | |
| Signaling by ERBB2 | |
| Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation | |
| The NLRP3 inflammasome | |
| Trafficking and processing of endosomal TLR | |
| VEGFA-VEGFR2 Pathway | |
| VEGFR2 mediated vascular permeability | |
| vRNP Assembly |
No pre-computed analogs available. Try a structural similarity search.