Reaction Details Report a problem with these data
Target
Gonadotropin-releasing hormone receptor
Ligand
BDBM50470083
Substrate
n/a
Meas. Tech.
ChEMBL_100131 (CHEMBL858015)
Ki
0.020±n/a nM
Citation
 Haviv, F; Fitzpatrick, TD; Nichols, CJ; Bush, EN; Diaz, G; Bammert, G; Nguyen, AT; Johnson, ES; Knittle, J; Greer, J In vitro and in vivo activities of reduced-size antagonists of luteinizing hormone-releasing hormone. J Med Chem 37:701-5 (1994) [PubMed]  Article 
Target
Name:
Gonadotropin-releasing hormone receptor
Synonyms:
GNRHR_RAT | GnRH receptor | GnRH-R | Gnrhr
Type:
PROTEIN
Mol. Mass.:
37767.60
Organism:
Rattus norvegicus
Description:
ChEMBL_1335047
Residue:
327
Sequence:
MANNASLEQDQNHCSAINNSIPLTQGKLPTLTLSGKIRVTVTFFLFLLSTAFNASFLVKLQRWTQKRKKGKKLSRMKVLLKHLTLANLLETLIVMPLDGMWNITVQWYAGEFLCKVLSYLKLFSMYAPAFMMVVISLDRSLAVTQPLAVQSKSKLERSMTSLAWILSIVFAGPQLYIFRMIYLADGSGPAVFSQCVTHCSFPQWWHEAFYNFFTFSCLFIIPLLIMLICNAKIIFALTRVLHQDPRKLQLNQSKNNIPRARLRTLKMTVAFGTSFVICWTPYYVLGIWYWFDPEMLNRVSEPVNHFFFLFAFLNPCFDPLIYGYFSL
  
Inhibitor
Name:
BDBM50470083
Synonyms:
CHEMBL267709
Type:
Small organic molecule
Emp. Form.:
C64H84F2N14O11
Mol. Mass.:
1263.4358
SMILES:
CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCCNC(=O)c1cccnc1)NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1ccc(F)cc1F |wU:61.66,12.20,wD:23.28,31.46,5.4,67.70,48.50,(22.09,-4.06,;22.09,-5.58,;20.77,-6.37,;19.44,-5.61,;18.13,-6.37,;19.41,-4.1,;20.61,-3.22,;20.09,-1.78,;18.58,-1.78,;18.15,-3.23,;16.81,-3.97,;16.81,-5.51,;15.49,-3.22,;15.49,-1.67,;16.84,-.91,;16.84,.63,;18.2,1.38,;18.2,2.92,;19.54,3.69,;16.88,3.7,;14.16,-3.97,;12.82,-3.2,;12.84,-1.65,;11.49,-3.94,;11.47,-5.48,;12.81,-6.28,;14.14,-5.5,;12.79,-7.8,;10.15,-3.17,;8.83,-3.93,;8.82,-5.45,;7.51,-3.15,;7.6,-1.62,;6.38,-.65,;6.89,.79,;5.55,1.82,;6.19,3.21,;5.32,4.51,;6,5.89,;3.78,4.37,;2.94,5.65,;1.36,5.53,;.71,4.15,;1.59,2.86,;3.12,2.99,;6.18,-3.91,;4.84,-3.13,;4.84,-1.59,;3.49,-3.89,;3.49,-5.42,;4.81,-6.21,;4.81,-7.76,;6.13,-8.53,;7.48,-7.77,;8.8,-8.54,;7.48,-6.22,;6.16,-5.45,;2.17,-3.1,;2.19,-1.56,;.85,-3.86,;.82,-5.42,;-.48,-3.09,;-.47,-1.56,;.85,-.8,;-1.82,-3.84,;-3.15,-3.07,;-3.14,-1.54,;-4.5,-3.83,;-4.51,-5.38,;-3.18,-6.16,;-1.76,-5.54,;-.74,-6.67,;-1.53,-8.01,;-1.06,-9.47,;-2.09,-10.6,;-3.59,-10.28,;-4.08,-8.82,;-3.03,-7.69,;-5.81,-3.07,;-7.17,-3.81,;-7.13,-5.34,;-8.52,-3.1,;-9.95,-4.06,;-11.51,-3.29,;-11.61,-1.58,;-13.15,-.82,;-14.58,-1.78,;-16.07,-.94,;-14.45,-3.51,;-12.93,-4.26,;-12.9,-5.99,)|
Structure:
Search PDB for entries with ligand similarity: