Reaction Details Report a problem with these data
Target
Corticotropin-releasing factor receptor 1
Ligand
BDBM50148897
Substrate
n/a
Meas. Tech.
ChEBML_51104
Ki
0.730000±n/a nM
Citation
 Chen, C; Wilcoxen, KM; Huang, CQ; McCarthy, JR; Chen, T; Grigoriadis, DE Optimization of 3-phenylpyrazolo[1,5-a]pyrimidines as potent corticotropin-releasing factor-1 antagonists with adequate lipophilicity and water solubility. Bioorg Med Chem Lett 14:3669-73 (2004) [PubMed]  Article 
Target
Name:
Corticotropin-releasing factor receptor 1
Synonyms:
CRF-R | CRF-R2 Alpha | CRF1 | CRFR | CRFR1 | CRFR1_HUMAN | CRH-R 1 | CRHR | CRHR1 | Corticotropin releasing factor receptor 1 | Corticotropin-releasing factor receptor 1 (CRF-1) | Corticotropin-releasing factor receptor 1 (CRF1) | Corticotropin-releasing hormone receptor 1
Type:
Enzyme
Mol. Mass.:
50744.31
Organism:
Homo sapiens (Human)
Description:
P34998
Residue:
444
Sequence:
MGGHPQLRLVKALLLLGLNPVSASLQDQHCESLSLASNISGLQCNASVDLIGTCWPRSPAGQLVVRPCPAFFYGVRYNTTNNGYRECLANGSWAARVNYSECQEILNEEKKSKVHYHVAVIINYLGHCISLVALLVAFVLFLRLRPGCTHWGDQADGALEVGAPWSGAPFQVRRSIRCLRNIIHWNLISAFILRNATWFVVQLTMSPEVHQSNVGWCRLVTAAYNYFHVTNFFWMFGEGCYLHTAIVLTYSTDRLRKWMFICIGWGVPFPIIVAWAIGKLYYDNEKCWFGKRPGVYTDYIYQGPMILVLLINFIFLFNIVRILMTKLRASTTSETIQYRKAVKATLVLLPLLGITYMLFFVNPGEDEVSRVVFIYFNSFLESFQGFFVSVFYCFLNSEVRSAIRKRWHRWQDKHSIRARVARAMSIPTSPTRVSFHSIKQSTAV
  
Inhibitor
Name:
BDBM50148897
Synonyms:
CHEMBL333735 | Cyclopropylmethyl-[3-(2,4-dichloro-phenyl)-2-methyl-5-methylsulfanyl-3H-pyrazolo[1,5-a]pyrimidin-7-yl]-propyl-amine
Type:
Small organic molecule
Emp. Form.:
C21H24Cl2N4S
Mol. Mass.:
435.413
SMILES:
CCCN(CC1CC1)c1cc(SC)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(14.51,-6.15,;14.47,-7.69,;15.77,-8.49,;15.74,-10.02,;17.05,-10.83,;17.01,-12.37,;18.31,-13.17,;15.65,-13.1,;14.39,-10.76,;14.34,-12.3,;12.97,-13.05,;12.93,-14.57,;11.58,-15.31,;11.66,-12.23,;11.71,-10.68,;10.6,-9.61,;11.28,-8.23,;10.55,-6.87,;12.81,-8.44,;13.07,-9.96,;9.1,-9.88,;8.57,-11.33,;7.06,-11.6,;6.07,-10.42,;4.57,-10.7,;6.59,-8.98,;8.1,-8.7,;8.5,-7.21,)|
Structure:
Search PDB for entries with ligand similarity: