Ki Summary

Reaction Details

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Target

Progonadoliberin-1

Ligand

BDBM84706

Substrate

n/a

10.23±n/a nM

Comments

PDSP_9

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

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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:

Sequence:

METIPKLMAAVVLLTVCLEGCSSQHWSYGLRPGGKRNTEHLVDSFQEMGKEEDQMAEPQNFECTVHWPRSPLRDLRGALERLIEEEAGQKKM

Inhibitor

Name:

BDBM84706

Synonyms:

leuprolide 10SarNH2

Type:

Small organic molecule

Emp. Form.:

C59H83N17O13

Mol. Mass.:

1238.3964

SMILES:

CC(C)C[C@H](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)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O |r,wU:28.31,48.58,58.61,8.12,81.87,wD:34.47,16.25,4.4,67.71,(6.64,-.49,;7.11,.79,;8.54,.28,;6.79,2.3,;5.43,2.76,;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,-7.22,;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,-7.57,;-7.01,-7.22,;-7.41,-5.74,;-8.1,-8.33,;-9.59,-7.89,;-9.99,-6.42,;-11.44,-5.87,;-11.3,-4.34,;-9.79,-3.94,;-9,-5.27,;-7.71,-9.82,;-8.81,-10.93,;-8.46,-12.44,;-10.37,-10.57,;-10.93,-9.1,;-12.5,-9.1,;-12.98,-10.64,;-14.52,-11.2,;-11.66,-11.59,;5.17,4.27,;3.75,4.73,;6.36,5.25,;7.76,4.7,;8.05,3.19,;9.4,2.76,;10.56,3.77,;11.99,3.34,;13.07,4.34,;14.52,3.91,;12.73,5.81,;8.69,5.56,;10.34,5.13,;8.01,6.89,;6.47,7.14,;6.25,8.6,;7.58,9.33,;8.69,8.25,;10.16,8.5,;11.09,7.36,;10.69,9.91,;9.73,11.04,;10.22,12.44,;11.71,12.84,;9.45,13.78,)|

Structure: