Reaction Details Report a problem with these data
Target
Albumin
Ligand
BDBM50584214
Substrate
n/a
Meas. Tech.
ChEMBL_2159109 (CHEMBL5043859)
Kd
230±n/a nM
Citation
 Brandt, F; Ullrich, M; Laube, M; Kopka, K; Bachmann, M; Löser, R; Pietzsch, J; Pietzsch, HJ; van den Hoff, J; Wodtke, R "Clickable" Albumin Binders for Modulating the Tumor Uptake of Targeted Radiopharmaceuticals. J Med Chem 65:710-733 (2022) [PubMed]  Article 
Target
Name:
Albumin
Synonyms:
ALB | ALBU_HUMAN | Serum albumin
Type:
PROTEIN
Mol. Mass.:
69362.94
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1509401
Residue:
609
Sequence:
MKWVTFISLLFLFSSAYSRGVFRRDAHKSEVAHRFKDLGEENFKALVLIAFAQYLQQCPFEDHVKLVNEVTEFAKTCVADESAENCDKSLHTLFGDKLCTVATLRETYGEMADCCAKQEPERNECFLQHKDDNPNLPRLVRPEVDVMCTAFHDNEETFLKKYLYEIARRHPYFYAPELLFFAKRYKAAFTECCQAADKAACLLPKLDELRDEGKASSAKQRLKCASLQKFGERAFKAWAVARLSQRFPKAEFAEVSKLVTDLTKVHTECCHGDLLECADDRADLAKYICENQDSISSKLKECCEKPLLEKSHCIAEVENDEMPADLPSLAADFVESKDVCKNYAEAKDVFLGMFLYEYARRHPDYSVVLLLRLAKTYETTLEKCCAAADPHECYAKVFDEFKPLVEEPQNLIKQNCELFEQLGEYKFQNALLVRYTKKVPQVSTPTLVEVSRNLGKVGSKCCKHPEAKRMPCAEDYLSVVLNQLCVLHEKTPVSDRVTKCCTESLVNRRPCFSALEVDETYVPKEFNAETFTFHADICTLSEKERQIKKQTALVELVKHKPKATKEQLKAVMDDFAAFVEKCCKADDKETCFAEEGKKLVAASQAALGL
  
Inhibitor
Name:
BDBM50584214
Synonyms:
CHEMBL5082399
Type:
Small organic molecule
Emp. Form.:
C37H33IN2O9
Mol. Mass.:
776.5704
SMILES:
OC(=O)[C@@H](CCCCNC(=O)CCCc1ccc(I)cc1)NC(=O)c1ccc(C(O)=O)c(c1)-c1c2ccc(O)cc2oc2cc(=O)ccc12 |r,wD:3.3,(-0,-3.08,;-0,-1.54,;1.33,-.77,;-1.33,-.77,;-1.33,.77,;-0,1.54,;-0,3.08,;1.33,3.85,;1.33,5.39,;2.67,6.16,;2.67,7.7,;4,5.39,;5.33,6.16,;6.67,5.39,;8,6.16,;8,7.7,;9.33,8.47,;10.67,7.7,;12,8.47,;10.67,6.17,;9.34,5.39,;-2.67,-1.54,;-4,-.77,;-4,.77,;-5.34,-1.54,;-6.66,-.77,;-8,-1.54,;-8,-3.08,;-9.33,-3.85,;-9.73,-5.34,;-10.67,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-6.67,-5.39,;-5.33,-6.16,;-4,-5.39,;-2.67,-6.16,;-2.67,-7.69,;-1.33,-8.46,;-3.99,-8.47,;-5.33,-7.7,;-6.67,-8.47,;-8,-7.7,;-9.33,-8.47,;-10.67,-7.7,;-12,-8.47,;-10.67,-6.16,;-9.33,-5.39,;-8,-6.16,)|
Structure:
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