Reaction Details Report a problem with these data
Target
Progonadoliberin-1
Ligand
BDBM84699
Substrate
n/a
Ki
33.11±n/a nM
Comments
PDSP_35
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:
BDBM84699
Synonyms:
leuprolide 2 NMeHis
Type:
Small organic molecule
Emp. Form.:
C60H86N16O12
Mol. Mass.:
1223.4248
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](Cc1cnc[nH]1)N(C)C(=O)[C@@H]1CCC(=O)N1 |r,wU:51.55,71.82,82.86,31.36,5.4,wD:57.71,39.49,23.28,12.20,(10.23,12.45,;9.73,11.05,;10.7,9.91,;10.17,8.5,;11.1,7.36,;8.69,8.26,;7.58,9.33,;6.25,8.61,;6.47,7.15,;8.02,6.89,;8.69,5.56,;10.35,5.13,;7.76,4.71,;8.05,3.2,;9.41,2.76,;10.57,3.78,;11.99,3.34,;13.08,4.34,;14.53,3.91,;12.74,5.82,;6.36,5.25,;5.18,4.27,;3.75,4.73,;5.43,2.76,;6.8,2.3,;7.11,.79,;6.64,-.49,;8.55,.28,;4.27,1.76,;2.87,2.27,;2.59,3.78,;1.73,1.23,;1.98,-.25,;3.45,-.72,;3.78,-2.23,;4.1,.15,;.26,1.69,;-.83,.68,;-2.3,1.12,;-.5,-.83,;.97,-1.29,;1.33,-2.76,;.22,-3.84,;.66,-5.35,;2.12,-5.74,;2.48,-7.22,;3.27,-4.67,;2.81,-3.11,;-1.58,-1.87,;-2.98,-1.43,;-3.38,.08,;-4.09,-2.51,;-5.56,-2.12,;-6.7,-3.2,;-3.76,-3.99,;-4.84,-5.02,;-6.31,-4.63,;-4.45,-6.49,;-2.94,-6.89,;-2.51,-8.37,;-1.14,-8.86,;-1.18,-10.41,;-2.62,-10.84,;-3.29,-12.23,;-4.91,-12.32,;-5.73,-10.98,;-5.02,-9.57,;-3.46,-9.5,;-5.56,-7.57,;-7.01,-7.22,;-7.41,-5.74,;-8.1,-8.33,;-9.6,-7.9,;-10,-6.42,;-11.45,-5.88,;-11.3,-4.34,;-9.79,-3.94,;-9.01,-5.27,;-7.71,-9.83,;-6.18,-9.83,;-8.81,-10.94,;-8.46,-12.45,;-10.37,-10.58,;-10.94,-9.1,;-12.51,-9.1,;-12.98,-10.65,;-14.53,-11.21,;-11.66,-11.59,)|
Structure:
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