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Target
Calcium and integrin-binding protein 1
Ligand
BDBM50572357
Substrate
n/a
Meas. Tech.
ChEMBL_2116701 (CHEMBL4825642)
IC50
150000±n/a nM
Citation
 Haberman, VA; Fleming, SR; Leisner, TM; Puhl, AC; Feng, E; Xie, L; Chen, X; Goto, Y; Suga, H; Parise, LV; Kireev, D; Pearce, KH; Bowers, AA Discovery and Development of Cyclic Peptide Inhibitors of CIB1. ACS Med Chem Lett 12:1832-1839 (2021) [PubMed]  Article 
Target
Name:
Calcium and integrin-binding protein 1
Synonyms:
CIB | CIB1 | CIB1_HUMAN | Calcium and integrin-binding protein 1 | Calcium- and integrin-binding protein | Calmyrin | KIP | PRKDCIP
Type:
PROTEIN
Mol. Mass.:
21691.54
Organism:
Homo sapiens
Description:
ChEMBL_120467
Residue:
191
Sequence:
MGGSGSRLSKELLAEYQDLTFLTKQEILLAHRRFCELLPQEQRSVESSLRAQVPFEQILSLPELKANPFKERICRVFSTSPAKDSLSFEDFLDLLSVFSDTATPDIKSHYAFRIFDFDDDGTLNREDLSRLVNCLTGEGEDTRLSASEMKQLIDNILEESDIDRDGTINLSEFQHVISRSPDFASSFKIVL
  
Inhibitor
Name:
BDBM50572357
Synonyms:
CHEMBL4863344
Type:
Small organic molecule
Emp. Form.:
C160H257ClN54O41S
Mol. Mass.:
3660.608
SMILES:
CSCC[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CCC(=O)NCCOCCOCCCCCCCl)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(N)=O |r|
Structure:
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