Reaction Details Report a problem with these data
Target
Caveolin-1
Ligand
BDBM50172458
Substrate
n/a
Meas. Tech.
ChEMBL_1579921 (CHEMBL3813177)
Kd
>155±n/a nM
Citation
 Gilliam, AJ; Smith, JN; Flather, D; Johnston, KM; Gansmiller, AM; Fishman, DA; Edgar, JM; Balk, M; Majumdar, S; Weiss, GA Affinity-Guided Design of Caveolin-1 Ligands for Deoligomerization. J Med Chem 59:4019-25 (2016) [PubMed]  Article 
Target
Name:
Caveolin-1
Synonyms:
CAV | CAV1 | CAV1_HUMAN | Caveolin-1
Type:
PROTEIN
Mol. Mass.:
20469.35
Organism:
Homo sapiens (Human)
Description:
ChEMBL_116797
Residue:
178
Sequence:
MSGGKYVDSEGHLYTVPIREQGNIYKPNNKAMADELSEKQVYDAHTKEIDLVNRDPKHLNDDVVKIDFEDVIAEPEGTHSFDGIWKASFTTFTVTKYWFYRLLSALFGIPMALIWGIYFAILSFLHIWAVVPCIKSFLIEIQCISRVYSIYVHTVCDPLFEAVGKIFSNVRINLQKEI
  
Inhibitor
Name:
BDBM50172458
Synonyms:
CHEMBL3809899
Type:
Small organic molecule
Emp. Form.:
C191H302N50O62S3
Mol. Mass.:
4386.934
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Structure:
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