Ki Summary

Reaction Details

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Target

KiSS-1 receptor

Ligand

BDBM50203792

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_425686 (CHEMBL912002)

775.2±n/a nM

Citation

Orsini, MJ; Klein, MA; Beavers, MP; Connolly, PJ; Middleton, SA; Mayo, KH Metastin (KiSS-1) mimetics identified from peptide structure-activity relationship-derived pharmacophores and directed small molecule database screening. J Med Chem50:462-71 (2007) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

KiSS-1 receptor

Name:

KiSS-1 receptor

Synonyms:

Type:

G Protein-Coupled Receptor (GPCR)

Mol. Mass.:

42613.79

Organism:

Homo sapiens (Human)

Description:

Binding assay was performed using membranes from the CHO cell transfectants.

Residue:

398

Sequence:

MHTVATSGPNASWGAPANASGCPGCGANASDGPVPSPRAVDAWLVPLFFAALMLLGLVGN
SLVIYVICRHKPMRTVTNFYIANLAATDVTFLLCCVPFTALLYPLPGWVLGDFMCKFVNY
IQQVSVQATCATLTAMSVDRWYVTVFPLRALHRRTPRLALAVSLSIWVGSAAVSAPVLAL
HRLSPGPRAYCSEAFPSRALERAFALYNLLALYLLPLLATCACYAAMLRHLGRVAVRPAP
ADSALQGQVLAERAGAVRAKVSRLVAAVVLLFAACWGPIQLFLVLQALGPAGSWHPRSYA
AYALKTWAHCMSYSNSALNPLLYAFLGSHFRQAFRRVCPCAPRRPRRPRRPGPSDPAAPH
AELLRLGSHPAPARAQKPGSSGLAARGLCVLGEDNAPL

BDBM50203792

n/a

Name

BDBM50203792

Synonyms:

(2S)-2-{[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-N-[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}butyl]carbamoyl}-3-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-carbamoylethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-carbamoylethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]butanediamide | CHEMBL414811

Type

Small organic molecule

Emp. Form.

C82H115N21O18

Mol. Mass.

1682.9204

SMILES

CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |wU:58.61,4.4,72.75,91.95,36.37,12.13,110.114,wD:66.69,24.24,83.87,99.103,16.16,44.45,(-5.65,-20.93,;-5.62,-22.47,;-6.94,-23.26,;-4.27,-23.22,;-4.27,-24.78,;-5.6,-25.55,;-2.93,-25.55,;-2.93,-27.09,;-1.6,-24.78,;-1.12,-23.32,;.41,-23.32,;.89,-24.78,;-.36,-25.69,;-.36,-27.23,;-1.7,-28,;.97,-28,;.97,-29.54,;-.36,-30.31,;-.36,-31.85,;.97,-32.62,;-1.7,-32.62,;2.3,-30.32,;2.3,-31.86,;3.64,-29.55,;4.97,-30.32,;4.97,-31.86,;6.3,-32.63,;6.3,-34.17,;7.62,-34.94,;8.97,-34.17,;10.3,-34.94,;8.96,-32.62,;7.64,-31.86,;6.31,-29.55,;6.31,-28.01,;7.64,-30.32,;8.97,-29.55,;8.97,-28.01,;10.31,-27.24,;11.64,-28.02,;10.31,-25.7,;10.31,-30.33,;10.3,-31.87,;11.64,-29.56,;12.98,-30.33,;12.97,-31.87,;14.3,-32.64,;15.56,-31.64,;16.79,-32.64,;16.31,-34.1,;17.07,-35.42,;16.31,-36.75,;14.77,-36.75,;14.01,-35.41,;14.78,-34.1,;14.31,-29.56,;14.31,-28.02,;15.64,-30.33,;16.98,-29.56,;16.98,-28.02,;18.31,-27.25,;19.65,-28.03,;18.31,-25.71,;18.3,-30.33,;18.3,-31.87,;19.64,-29.57,;20.97,-30.34,;20.97,-31.88,;22.31,-32.65,;22.31,-29.57,;22.31,-28.03,;23.64,-30.34,;24.97,-29.57,;24.98,-28.03,;26.31,-27.26,;27.64,-28.03,;28.98,-27.26,;28.98,-25.72,;27.63,-24.95,;26.31,-25.72,;26.31,-30.34,;26.31,-31.88,;27.64,-29.58,;28.98,-30.34,;28.98,-31.88,;30.32,-32.64,;30.32,-34.18,;31.65,-31.87,;30.31,-29.57,;30.31,-28.03,;31.64,-30.34,;32.98,-29.57,;32.98,-28.03,;34.31,-27.26,;34.31,-25.72,;35.65,-28.04,;34.31,-30.34,;34.31,-31.88,;35.65,-29.58,;36.98,-30.35,;36.98,-31.89,;38.31,-32.66,;38.31,-34.2,;39.64,-34.97,;39.64,-36.51,;40.97,-37.28,;38.31,-37.28,;38.32,-29.58,;38.32,-28.04,;39.65,-30.35,;40.98,-29.58,;40.98,-28.04,;42.32,-27.27,;43.64,-28.06,;44.98,-27.29,;44.99,-25.75,;43.64,-24.98,;42.31,-25.75,;42.32,-30.35,;43.65,-29.59,;42.31,-31.89,)|

Structure