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Target
Albumin
Ligand
BDBM50598282
Substrate
n/a
Meas. Tech.
ChEMBL_2226676 (CHEMBL5140189)
Kd
39±n/a nM
Citation
 Gonschorek, P; Zorzi, A; Maric, T; Le Jeune, M; Schüttel, M; Montagnon, M; Gómez-Ojea, R; Vollmar, DP; Whitfield, C; Reymond, L; Carle, V; Verma, H; Schilling, O; Hovnanian, A; Heinis, C Phage Display Selected Cyclic Peptide Inhibitors of Kallikrein-Related Peptidases 5 and 7 and Their  J Med Chem 65:9735-9749 (2022) [PubMed] 
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:
BDBM50598282
Synonyms:
CHEMBL5205331
Type:
Small organic molecule
Emp. Form.:
C40H60N12O13S2
Mol. Mass.:
981.107
SMILES:
[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CSCC(=O)CSC[C@H](NC2=O)C(O)=O)NC(=O)CN)[C@@H](C)O |r|
Structure:
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