PROTAC Builder API

BASE_URL="https://protacbuilder.com"

          curl -sS -X POST "$BASE_URL/api/protac/builder/cli" \
            -F "target=<warhead.smiles" \
            -F "ligase=<ligase.smiles" \
            -F "library=@API_Linkers.csv" \
            -o protac_run.zip \
          && unzip -o protac_run.zip

BASE_URL="https://protacbuilder.com"

          WARHEAD_SMILES='COC(=O)N[C@H](C(=O)NN(Cc1ccc(-c2ccccn2)cc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)O[*:1])C(C)(C)C)C(C)(C)C'
          LIGASE_SMILES='O=C1CCC(N2Cc3cccc(N[*:2])c3C2)C(=O)N1'

          curl -sS -X POST "$BASE_URL/api/protac/builder/cli" \
            -F "target=$WARHEAD_SMILES" \
            -F "ligase=$LIGASE_SMILES" \
            -F "library=@API_Linkers.csv" \
            -o protac_run.zip \
          && unzip -o protac_run.zip

import requests
import zipfile
import os

BASE_URL = "https://protacbuilder.com"
URL = f"{BASE_URL}/api/protac/builder/cli"

WARHEAD_SMILES = (
    "COC(=O)N[C@H](C(=O)NN(Cc1ccc(-c2ccccn2)cc1)"
    "C[C@H](O)[C@H](Cc1ccccc1)NC(=O)"
    "[C@@H](NC(=O)O[*:1])C(C)(C)C)C(C)(C)C"
)

LIGASE_SMILES = "O=C1CCC(N2Cc3cccc(N[*:2])c3C2)C(=O)N1"

ZIP_NAME = "protac_run.zip"
EXTRACT_DIR = "protac_results"

# --- POST request ---
with open("API_Linkers.csv", "rb") as f:
    files = {"library": ("API_Linkers.csv", f, "text/csv")}
    data = {
        "target": WARHEAD_SMILES,
        "ligase": LIGASE_SMILES,
    }

    response = requests.post(URL, data=data, files=files, timeout=300)
    response.raise_for_status()

# --- Save ZIP ---
with open(ZIP_NAME, "wb") as out:
    out.write(response.content)

print(f"✅ Saved {ZIP_NAME}")

# --- Unzip ---
os.makedirs(EXTRACT_DIR, exist_ok=True)

with zipfile.ZipFile(ZIP_NAME, "r") as zip_ref:
    zip_ref.extractall(EXTRACT_DIR);
    extracted_files = zip_ref.namelist();

print(f"📂 Extracted to ./{EXTRACT_DIR}")
for f in extracted_files:
    print(f"  • {f}")