Ki Summary

Reaction Details

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Target

KiSS-1 receptor

Ligand

BDBM50203810

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_425686 (CHEMBL912002)

21.1±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

BDBM50203810

n/a

Name

BDBM50203810

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-carbamoyl-2-phenylethyl]carbamoyl}butyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]-2-phenylethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-carbamoylethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}ethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]butanediamide | CHEMBL375450

Type

Small organic molecule

Emp. Form.

C77H106N20O17

Mol. Mass.

1583.7893

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](C)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](Cc1ccccc1)C(N)=O |wU:55.58,4.4,69.72,84.88,12.13,36.38,103.107,wD:63.66,24.24,92.96,41.42,16.16,(-6.31,-18.18,;-6.29,-19.72,;-7.61,-20.51,;-4.94,-20.46,;-4.94,-22.02,;-6.27,-22.79,;-3.6,-22.79,;-3.6,-24.33,;-2.27,-22.02,;-1.79,-20.56,;-.25,-20.57,;.22,-22.03,;-1.03,-22.94,;-1.03,-24.48,;-2.37,-25.25,;.3,-25.25,;.3,-26.79,;-1.04,-27.56,;-1.04,-29.1,;.3,-29.87,;-2.37,-29.87,;1.63,-27.56,;1.63,-29.1,;2.97,-26.79,;4.3,-27.56,;4.3,-29.1,;5.63,-29.87,;5.62,-31.41,;6.95,-32.18,;8.29,-31.41,;9.62,-32.18,;8.29,-29.87,;6.96,-29.11,;5.63,-26.79,;5.64,-25.25,;6.97,-27.57,;8.3,-26.8,;8.3,-25.26,;9.63,-27.57,;9.63,-29.11,;10.97,-26.8,;12.3,-27.57,;12.3,-29.11,;13.63,-29.88,;14.88,-28.89,;16.12,-29.88,;15.64,-31.35,;16.4,-32.67,;15.64,-33.99,;14.1,-33.99,;13.34,-32.66,;14.11,-31.34,;13.64,-26.8,;13.64,-25.26,;14.97,-27.57,;16.3,-26.81,;16.3,-25.27,;17.64,-24.5,;18.97,-25.27,;17.64,-22.96,;17.64,-27.58,;17.63,-29.12,;18.97,-26.81,;20.3,-27.58,;20.3,-29.12,;21.63,-29.89,;21.64,-26.81,;21.64,-25.27,;22.97,-27.58,;24.31,-26.81,;24.31,-25.27,;25.64,-24.51,;26.97,-25.28,;28.31,-24.51,;28.31,-22.97,;26.97,-22.2,;25.64,-22.97,;25.64,-27.59,;25.64,-29.13,;26.97,-26.82,;28.31,-27.59,;29.64,-26.82,;29.64,-25.28,;30.97,-27.59,;32.31,-26.82,;32.31,-25.28,;33.64,-24.51,;33.65,-22.97,;34.98,-25.28,;33.64,-27.59,;33.64,-29.13,;34.97,-26.82,;36.31,-27.6,;36.31,-29.14,;37.64,-29.91,;37.64,-31.45,;38.97,-32.22,;38.97,-33.76,;40.3,-34.53,;37.63,-34.53,;37.64,-26.83,;37.64,-25.29,;38.98,-27.6,;40.31,-26.83,;40.31,-25.29,;41.65,-24.52,;42.97,-25.3,;44.31,-24.54,;44.31,-22.99,;42.97,-22.22,;41.64,-22.99,;41.64,-27.6,;42.98,-26.83,;41.64,-29.14,)|

Structure