Ki Summary

Reaction Details

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Target

KiSS-1 receptor

Ligand

BDBM50203785

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_425686 (CHEMBL912002)

240.2±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

BDBM50203785

n/a

Name

BDBM50203785

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)-4-carbamimidamido-1-{[(1S)-1-carbamoylethyl]carbamoyl}butyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)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 | CHEMBL373714

Type

Small organic molecule

Emp. Form.

C72H103N21O18

Mol. Mass.

1550.7181

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)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(N)=O |wU:58.61,4.4,72.75,87.91,36.37,12.13,106.111,wD:66.69,24.24,95.99,16.16,44.45,(-9.14,-21.26,;-9.11,-22.8,;-10.43,-23.59,;-7.77,-23.54,;-7.76,-25.1,;-9.09,-25.87,;-6.43,-25.87,;-6.43,-27.41,;-5.1,-25.1,;-4.61,-23.64,;-3.08,-23.65,;-2.6,-25.11,;-3.85,-26.02,;-3.86,-27.56,;-5.19,-28.33,;-2.52,-28.33,;-2.52,-29.87,;-3.86,-30.64,;-3.86,-32.18,;-2.53,-32.95,;-5.2,-32.95,;-1.19,-30.64,;-1.19,-32.18,;.14,-29.87,;1.48,-30.64,;1.47,-32.18,;2.81,-32.95,;2.8,-34.49,;4.13,-35.26,;5.47,-34.49,;6.8,-35.26,;5.46,-32.95,;4.14,-32.19,;2.81,-29.87,;2.81,-28.33,;4.14,-30.65,;5.48,-29.88,;5.48,-28.34,;6.81,-27.57,;8.15,-28.34,;6.82,-26.03,;6.81,-30.65,;6.81,-32.19,;8.14,-29.88,;9.48,-30.65,;9.48,-32.19,;10.8,-32.96,;12.06,-31.97,;13.29,-32.96,;12.82,-34.43,;13.58,-35.75,;12.82,-37.07,;11.28,-37.07,;10.52,-35.74,;11.28,-34.42,;10.81,-29.88,;10.81,-28.34,;12.15,-30.65,;13.48,-29.89,;13.48,-28.35,;14.82,-27.58,;16.15,-28.35,;14.82,-26.04,;14.81,-30.66,;14.81,-32.2,;16.15,-29.89,;17.48,-30.66,;17.48,-32.2,;18.81,-32.97,;18.81,-29.89,;18.82,-28.35,;20.15,-30.66,;21.48,-29.89,;21.48,-28.35,;22.82,-27.59,;24.15,-28.36,;25.48,-27.59,;25.49,-26.05,;24.14,-25.28,;22.81,-26.05,;22.81,-30.67,;22.81,-32.21,;24.15,-29.9,;25.48,-30.67,;26.82,-29.9,;26.82,-28.36,;28.15,-30.67,;29.48,-29.9,;29.49,-28.36,;30.82,-27.59,;30.82,-26.05,;32.15,-28.36,;30.82,-30.67,;30.82,-32.21,;32.15,-29.91,;33.48,-30.68,;33.48,-32.22,;34.82,-32.99,;34.81,-34.53,;36.15,-35.3,;36.15,-36.84,;37.48,-37.61,;34.81,-37.61,;34.82,-29.91,;34.82,-28.37,;36.15,-30.68,;37.49,-29.91,;37.49,-28.37,;38.82,-30.68,;40.15,-29.91,;38.82,-32.22,)|

Structure