Ki Summary

Reaction Details

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Target

KiSS-1 receptor

Ligand

BDBM50442968

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1276485 (CHEMBL3088609)

0.040000±n/a nM

Citation

Asami, T; Nishizawa, N; Matsui, H; Nishibori, K; Ishibashi, Y; Horikoshi, Y; Nakayama, M; Matsumoto, S; Tarui, N; Yamaguchi, M; Matsumoto, H; Ohtaki, T; Kitada, C Design, synthesis, and biological evaluation of novel investigational nonapeptide KISS1R agonists with testosterone-suppressive activity. J Med Chem56:8298-307 (2013) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

KiSS-1 receptor

Name:

KiSS-1 receptor

Synonyms:

Gpr54 | KISSR_RAT | Kiss1r

Type:

PROTEIN

Mol. Mass.:

42915.37

Organism:

Rattus norvegicus

Description:

ChEMBL_1448383

Residue:

396

Sequence:

MAAEATLGPNVSWWAPSNASGCPGCGVNASDGPGSAPRPLDAWLVPLFFAALMLLGLVGN
SLVIFVICRHKHMQTVTNFYIANLAATDVTFLLCCVPFTALLYPLPTWVLGDFMCKFVNY
IQQVSVQATCATLTAMSVDRWYVTVFPLRALHRRTPRLALTVSLSIWVGSAAVSAPVLAL
HRLSPGPHTYCSEAFPSRALERAFALYNLLALYLLPLLATCACYGAMLRHLGRAAVRPAP
TDGALQGQLLAQRAGAVRTKVSRLVAAVVLLFAACWGPIQLFLVLQALGPSGAWHPRSYA
AYALKIWAHCMSYSNSALNPLLYAFLGSHFRQAFCRVCPCGPQRQRRPHASAHSDRAAPH
SVPHSRAAHPVRVRTPEPGNPVRRSPSVQDEHTAPL

BDBM50442968

n/a

Name

BDBM50442968

Synonyms:

CHEMBL3087793

Type

Small organic molecule

Emp. Form.

C62H82N18O14

Mol. Mass.

1303.4267

SMILES

CC(C)C[C@H](NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,wU:59.62,37.50,23.26,72.75,wD:51.58,29.34,12.20,4.4,83.86,(40.93,-34.78,;40.93,-33.25,;42.27,-32.48,;39.59,-32.48,;39.59,-30.94,;38.26,-30.17,;36.93,-30.95,;36.93,-32.48,;35.6,-30.18,;34.27,-30.95,;32.94,-30.18,;32.94,-28.64,;31.6,-30.95,;31.6,-32.49,;32.94,-33.25,;34.27,-32.49,;35.6,-33.25,;35.61,-34.79,;34.27,-35.56,;32.94,-34.8,;30.27,-30.18,;28.93,-30.95,;28.93,-32.49,;27.6,-30.19,;27.6,-28.64,;28.93,-27.88,;26.27,-30.96,;24.94,-30.19,;24.94,-28.65,;23.6,-30.96,;23.6,-32.5,;24.94,-33.27,;26.27,-32.5,;24.94,-34.8,;22.28,-30.2,;20.94,-30.96,;20.94,-32.5,;19.61,-30.19,;19.61,-28.66,;20.94,-27.88,;22.34,-28.51,;23.37,-27.36,;22.6,-26.03,;23.08,-24.56,;22.04,-23.42,;20.53,-23.75,;20.06,-25.21,;21.09,-26.35,;18.27,-30.97,;16.94,-30.2,;16.94,-28.66,;15.6,-30.97,;15.6,-32.51,;16.94,-33.28,;18.27,-32.51,;16.94,-34.81,;14.28,-30.2,;12.94,-30.97,;12.94,-32.51,;11.61,-30.2,;10.27,-30.97,;11.61,-28.67,;12.94,-27.9,;14.27,-28.66,;15.61,-27.89,;15.6,-26.35,;16.93,-25.58,;14.27,-25.58,;12.93,-26.35,;40.93,-30.17,;40.93,-28.63,;42.27,-30.94,;43.6,-30.16,;43.6,-28.62,;44.93,-27.85,;44.93,-26.32,;46.26,-25.54,;46.26,-24.01,;44.92,-23.23,;47.59,-23.24,;44.93,-30.93,;44.93,-32.47,;46.26,-30.16,;47.59,-30.93,;47.59,-32.47,;48.93,-33.24,;50.26,-32.46,;51.6,-33.23,;51.6,-34.77,;50.27,-35.54,;48.94,-34.77,;48.93,-30.16,;50.26,-30.93,;48.93,-28.62,)|

Structure