Ki Summary

Reaction Details

Report a problem with these data

Target

Progonadoliberin-1

Ligand

BDBM84712

Substrate

n/a

0.21±n/a nM

Comments

PDSP_17

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

More Info.:

Get all data from this 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:

Sequence:

METIPKLMAAVVLLTVCLEGCSSQHWSYGLRPGGKRNTEHLVDSFQEMGKEEDQMAEPQNFECTVHWPRSPLRDLRGALERLIEEEAGQKKM

Inhibitor

Name:

BDBM84712

Synonyms:

deslorelin 2NMePhe | deslorelin 2Phe

Type:

Small organic molecule

Emp. Form.:

C68H87N15O12

Mol. Mass.:

1306.5117

SMILES:

CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)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:31.44,23.28,12.20,57.63,63.79,5.4,77.91,89.95,wD:45.57,(-8.25,5.5,;-8.21,4.01,;-6.91,3.28,;-6.91,1.76,;-5.56,.97,;-8.21,.86,;-9.55,1.3,;-10.59,.25,;-9.77,-1.09,;-8.21,-.6,;-6.97,-1.49,;-5.62,-.85,;-7.01,-3.06,;-8.43,-3.76,;-9.77,-2.88,;-11.13,-3.55,;-12.37,-2.75,;-13.77,-3.43,;-15.09,-2.58,;-13.89,-4.95,;-5.75,-3.91,;-4.4,-3.25,;-4.38,-1.66,;-3.12,-4.06,;-3.52,-5.56,;-2.46,-6.71,;-2.79,-8.25,;-.84,-7.09,;-1.7,-3.39,;-.45,-4.25,;-.33,-5.83,;.61,-3.28,;.76,-1.8,;-.23,-.66,;.18,.7,;-.73,1.73,;-2.18,1.46,;-3.12,2.52,;-4.51,2.21,;-4.98,.86,;-4.03,-.18,;-2.61,.1,;2.04,-3.86,;3.22,-2.91,;4.71,-3.45,;2.98,-1.4,;1.57,-.7,;1.7,.88,;.39,1.92,;.68,3.61,;2.13,4.32,;2.37,5.95,;3.43,3.26,;3.26,1.51,;4.09,-.39,;5.66,-.45,;6.38,.82,;6.32,-1.82,;5.59,-3.1,;6.26,-4.46,;7.87,-1.86,;8.66,-.54,;7.93,.8,;10.17,-.6,;10.89,-1.99,;10.45,-3.49,;9,-4.01,;9.07,-5.58,;10.52,-6,;11.2,-7.39,;12.75,-7.49,;13.62,-6.2,;12.93,-4.81,;11.38,-4.71,;10.95,.6,;10.29,1.94,;8.75,1.98,;11.11,3.26,;12.59,3.16,;13.53,2.14,;13.13,.66,;14.22,-.43,;15.71,-.03,;16.11,1.45,;15.02,2.54,;10.35,4.51,;11.12,5.85,;8.83,4.51,;8.02,3.22,;8.02,5.91,;8.59,7.19,;7.54,8.25,;6.16,7.59,;4.77,8.19,;6.53,5.95,)|

Structure: