Reaction Details Report a problem with these data
Target
Progonadoliberin-1
Ligand
BDBM84733
Substrate
n/a
Ki
12.02±n/a nM
Comments
PDSP_97
Citation
 Haviv, F; Fitzpatrick, TD; Swenson, RE; Nichols, CJ; Mort, NA; Bush, EN; Diaz, G; Bammert, G; Nguyen, A; Rhutasel, NS Effect of N-methyl substitution of the peptide bonds in luteinizing hormone-releasing hormone agonists. J Med Chem 36:363-9 (1993) [PubMed]  Article 
Target
Name:
Progonadoliberin-1
Synonyms:
GON1_RAT | Gnrh | Gnrh1 | Luteinizing Hormone-Releasing Hormone LHRH | Progonadoliberin-1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
10497.39
Organism:
RAT
Description:
Luteinizing Hormone-Releasing Hormone LHRH 0 RAT::P07490
Residue:
92
Sequence:
METIPKLMAAVVLLTVCLEGCSSQHWSYGLRPGGKRNTEHLVDSFQEMGKEEDQMAEPQNFECTVHWPRSPLRDLRGALERLIEEEAGQKKM
  
Inhibitor
Name:
BDBM84733
Synonyms:
leuprolide 2NMePhe
Type:
Small organic molecule
Emp. Form.:
C63H88N14O12
Mol. Mass.:
1233.4594
SMILES:
CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H]1CCC(=O)N1 |r,wU:51.55,71.83,83.87,31.36,5.4,wD:57.71,39.49,23.28,12.20,(10.22,12.44,;9.73,11.04,;10.69,9.91,;10.16,8.49,;11.09,7.36,;8.69,8.25,;7.58,9.33,;6.25,8.6,;6.47,7.14,;8.01,6.89,;8.69,5.56,;10.34,5.13,;7.76,4.7,;8.05,3.19,;9.4,2.76,;10.56,3.77,;11.98,3.34,;13.07,4.34,;14.52,3.91,;12.73,5.81,;6.36,5.25,;5.17,4.27,;3.75,4.73,;5.43,2.76,;6.79,2.3,;7.11,.79,;6.64,-.49,;8.54,.28,;4.27,1.76,;2.87,2.26,;2.59,3.77,;1.73,1.23,;1.97,-.25,;3.45,-.72,;3.77,-2.23,;4.1,.15,;.26,1.68,;-.83,.68,;-2.3,1.12,;-.5,-.83,;.97,-1.29,;1.33,-2.76,;.22,-3.83,;.66,-5.34,;2.12,-5.74,;2.48,-7.21,;3.27,-4.67,;2.81,-3.11,;-1.58,-1.87,;-2.98,-1.43,;-3.37,.08,;-4.09,-2.51,;-5.56,-2.12,;-6.7,-3.19,;-3.76,-3.99,;-4.84,-5.02,;-6.31,-4.63,;-4.45,-6.49,;-2.94,-6.89,;-2.51,-8.36,;-1.14,-8.86,;-1.18,-10.4,;-2.61,-10.84,;-3.29,-12.23,;-4.91,-12.31,;-5.73,-10.97,;-5.02,-9.57,;-3.46,-9.5,;-5.56,-7.56,;-7.01,-7.21,;-7.41,-5.74,;-8.1,-8.33,;-9.59,-7.89,;-10.07,-6.27,;-11.55,-5.87,;-11.95,-4.38,;-10.86,-3.29,;-9.37,-3.69,;-8.98,-5.18,;-7.71,-9.82,;-6.17,-9.82,;-8.81,-10.93,;-8.46,-12.44,;-10.37,-10.57,;-10.93,-9.1,;-12.5,-9.1,;-12.97,-10.64,;-14.52,-11.2,;-11.66,-11.59,)|
Structure:
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