| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 9th, 2010 | 42 | No |
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) | 1.37 | 2.81 | -16.62 | 4 | 11 | 0 | 170 | 585.698 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| UniProt Database Links | AHSA1_HUMAN; AHSA1_MOUSE | ChEBI |
| 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 | 124 | 0.23 | Binding ≤ 10μM |
| ERBB2-2-E | Receptor Protein-tyrosine Kinase ErbB-2 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 31 | 0.25 | Binding ≤ 10μM |
| HS90A-1-E | Heat Shock Protein HSP 90-alpha (cluster #1 Of 4), Eukaryotic | Eukaryotes | 9800 | 0.17 | Binding ≤ 10μM |
| HS90B-1-E | Heat Shock Protein HSP 90-beta (cluster #1 Of 2), Eukaryotic | Eukaryotes | 9 | 0.27 | Binding ≤ 10μM |
| HS90A-1-E | Heat Shock Protein HSP 90-alpha (cluster #1 Of 3), Eukaryotic | Eukaryotes | 35 | 0.25 | Functional ≤ 10μM |
| HS90B-1-E | Heat Shock Protein HSP 90-beta (cluster #1 Of 3), Eukaryotic | Eukaryotes | 35 | 0.25 | Functional ≤ 10μM |
| Z103203-1-O | A375 (cluster #1 Of 3), Other | Other | 1287 | 0.20 | Functional ≤ 10μM |
| Z103205-2-O | A431 (cluster #2 Of 4), Other | Other | 70 | 0.24 | Functional ≤ 10μM |
| Z80166-1-O | HT-29 (Colon Adenocarcinoma Cells) (cluster #1 Of 12), Other | Other | 0 | 0.00 | Functional ≤ 10μM |
| Z80186-4-O | K562 (Erythroleukemia Cells) (cluster #4 Of 11), Other | Other | 126 | 0.23 | Functional ≤ 10μM |
| Z80224-9-O | MCF7 (Breast Carcinoma Cells) (cluster #9 Of 14), Other | Other | 90 | 0.23 | Functional ≤ 10μM |
| Z80390-8-O | PC-3 (Prostate Carcinoma Cells) (cluster #8 Of 10), Other | Other | 9 | 0.27 | Functional ≤ 10μM |
| Z80475-1-O | SK-BR-3 (Breast Adenocarcinoma) (cluster #1 Of 3), Other | Other | 35 | 0.25 | Functional ≤ 10μM |
| Z80488-1-O | SK-MEL-5 (Melanoma Cells) (cluster #1 Of 3), Other | Other | 134 | 0.23 | Functional ≤ 10μM |
| Z80493-2-O | SK-OV-3 (Ovarian Carcinoma Cells) (cluster #2 Of 6), Other | Other | 240 | 0.22 | Functional ≤ 10μM |
| Z80895-1-O | NCI-H596 (cluster #1 Of 1), Other | Other | 1600 | 0.19 | Functional ≤ 10μM |
| Z80928-1-O | HCT-116 (Colon Carcinoma Cells) (cluster #1 Of 9), Other | Other | 57 | 0.24 | Functional ≤ 10μM |
| Z81024-1-O | NCI-H460 (Non-small Cell Lung Carcinoma) (cluster #1 Of 8), Other | Other | 255 | 0.22 | Functional ≤ 10μM |
| Z81170-2-O | LNCaP (Prostate Carcinoma) (cluster #2 Of 5), Other | Other | 82 | 0.24 | Functional ≤ 10μM |
| Z81252-1-O | MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #1 Of 11), Other | Other | 194 | 0.22 | Functional ≤ 10μM |
| Z81331-5-O | SW-620 (Colon Adenocarcinoma Cells) (cluster #5 Of 6), Other | Other | 328 | 0.22 | Functional ≤ 10μM |
| Z81335-2-O | HCT-15 (Colon Adenocarcinoma Cells) (cluster #2 Of 5), Other | Other | 1487 | 0.19 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ENPL_CANFA | P41148 | Heat Shock Protein 90 Beta, Canine | 124 | 0.23 | Binding ≤ 1μM |
| HS90A_HUMAN | P07900 | Heat Shock Protein HSP 90-alpha, Human | 100 | 0.23 | Binding ≤ 1μM |
| HS90B_HUMAN | P08238 | Heat Shock Protein HSP 90-beta, Human | 1000 | 0.20 | Binding ≤ 1μM |
| ERBB2_HUMAN | P04626 | Receptor Protein-tyrosine Kinase ErbB-2, Human | 31 | 0.25 | Binding ≤ 1μM |
| ENPL_CANFA | P41148 | Heat Shock Protein 90 Beta, Canine | 124 | 0.23 | Binding ≤ 10μM |
| HS90A_HUMAN | P07900 | Heat Shock Protein HSP 90-alpha, Human | 100 | 0.23 | Binding ≤ 10μM |
| HS90B_HUMAN | P08238 | Heat Shock Protein HSP 90-beta, Human | 1000 | 0.20 | Binding ≤ 10μM |
| ERBB2_HUMAN | P04626 | Receptor Protein-tyrosine Kinase ErbB-2, Human | 31 | 0.25 | Binding ≤ 10μM |
| Z103203 | Z103203 | A375 | 1287 | 0.20 | Functional ≤ 10μM |
| Z103205 | Z103205 | A431 | 70 | 0.24 | Functional ≤ 10μM |
| Z80928 | Z80928 | HCT-116 (Colon Carcinoma Cells) | 202 | 0.22 | Functional ≤ 10μM |
| Z81335 | Z81335 | HCT-15 (Colon Adenocarcinoma Cells) | 1487 | 0.19 | Functional ≤ 10μM |
| HS90A_HUMAN | P07900 | Heat Shock Protein HSP 90-alpha, Human | 19 | 0.26 | Functional ≤ 10μM |
| HS90B_HUMAN | P08238 | Heat Shock Protein HSP 90-beta, Human | 19 | 0.26 | Functional ≤ 10μM |
| Z80166 | Z80166 | HT-29 (Colon Adenocarcinoma Cells) | 0.1 | 0.33 | Functional ≤ 10μM |
| Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 126 | 0.23 | Functional ≤ 10μM |
| Z81170 | Z81170 | LNCaP (Prostate Carcinoma) | 82 | 0.24 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 0.3 | 0.32 | Functional ≤ 10μM |
| Z81252 | Z81252 | MDA-MB-231 (Breast Adenocarcinoma Cells) | 194 | 0.22 | Functional ≤ 10μM |
| Z81024 | Z81024 | NCI-H460 (Non-small Cell Lung Carcinoma) | 255 | 0.22 | Functional ≤ 10μM |
| Z80895 | Z80895 | NCI-H596 | 1600 | 0.19 | Functional ≤ 10μM |
| Z80390 | Z80390 | PC-3 (Prostate Carcinoma Cells) | 9 | 0.27 | Functional ≤ 10μM |
| Z80475 | Z80475 | SK-BR-3 (Breast Adenocarcinoma) | 22 | 0.26 | Functional ≤ 10μM |
| Z80488 | Z80488 | SK-MEL-5 (Melanoma Cells) | 134 | 0.23 | Functional ≤ 10μM |
| Z80493 | Z80493 | SK-OV-3 (Ovarian Carcinoma Cells) | 19 | 0.26 | Functional ≤ 10μM |
| Z81331 | Z81331 | SW-620 (Colon Adenocarcinoma Cells) | 328 | 0.22 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| ATF6-alpha activates chaperone genes | |
| Attenuation phase | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| Downregulation of ERBB2:ERBB3 signaling | |
| eNOS activation | |
| EPHA-mediated growth cone collapse | |
| GRB2 events in ERBB2 signaling | |
| GRB7 events in ERBB2 signaling | |
| HSF1 activation | |
| HSF1-dependent transactivation | |
| Loss of Nlp from mitotic centrosomes | |
| Loss of proteins required for interphase microtubule organization from the ce | |
| PI3K events in ERBB2 signaling | |
| PIP3 activates AKT signaling | |
| PLCG1 events in ERBB2 signaling | |
| 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 | |
| Sema4D induced cell migration and growth-cone collapse | |
| SHC1 events in ERBB2 signaling | |
| 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.