Reaction Details Report a problem with these data
Target
Albumin
Ligand
BDBM50249522
Substrate
n/a
Meas. Tech.
ChEMBL_746850 (CHEMBL1777133)
Kd
5.8E3±n/a nM
Citation
 Giannetti, AM; Wong, H; Dijkgraaf, GJ; Dueber, EC; Ortwine, DF; Bravo, BJ; Gould, SE; Plise, EG; Lum, BL; Malhi, V; Graham, RA Identification, characterization, and implications of species-dependent plasma protein binding for the oral Hedgehog pathway inhibitor vismodegib (GDC-0449). J Med Chem 54:2592-601 (2011) [PubMed]  Article 
Target
Name:
Albumin
Synonyms:
ALBU_RAT | Alb | Serum albumin
Type:
PROTEIN
Mol. Mass.:
68729.59
Organism:
Rattus norvegicus
Description:
ChEMBL_1486769
Residue:
608
Sequence:
MKWVTFLLLLFISGSAFSRGVFRREAHKSEIAHRFKDLGEQHFKGLVLIAFSQYLQKCPYEEHIKLVQEVTDFAKTCVADENAENCDKSIHTLFGDKLCAIPKLRDNYGELADCCAKQEPERNECFLQHKDDNPNLPPFQRPEAEAMCTSFQENPTSFLGHYLHEVARRHPYFYAPELLYYAEKYNEVLTQCCTESDKAACLTPKLDAVKEKALVAAVRQRMKCSSMQRFGERAFKAWAVARMSQRFPNAEFAEITKLATDVTKINKECCHGDLLECADDRAELAKYMCENQATISSKLQACCDKPVLQKSQCLAEIEHDNIPADLPSIAADFVEDKEVCKNYAEAKDVFLGTFLYEYSRRHPDYSVSLLLRLAKKYEATLEKCCAEGDPPACYGTVLAEFQPLVEEPKNLVKTNCELYEKLGEYGFQNAVLVRYTQKAPQVSTPTLVEAARNLGRVGTKCCTLPEAQRLPCVEDYLSAILNRLCVLHEKTPVSEKVTKCCSGSLVERRPCFSALTVDETYVPKEFKAETFTFHSDICTLPDKEKQIKKQTALAELVKHKPKATEDQLKTVMGDFAQFVDKCCKAADKDNCFATEGPNLVARSKEALA
  
Inhibitor
Name:
BDBM50249522
Synonyms:
2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide | CHEMBL473417 | VISMODEGIB
Type:
Small organic molecule
Emp. Form.:
C19H14Cl2N2O3S
Mol. Mass.:
421.297
SMILES:
CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(c2)-c2ccccn2)c(Cl)c1
Structure:
Search PDB for entries with ligand similarity: