Ki Summary

Reaction Details

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Target

KiSS-1 receptor

Ligand

BDBM50203779

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_425686 (CHEMBL912002)

15.8±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

BDBM50203779

n/a

Name

BDBM50203779

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}pentyl]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 | CHEMBL220759

Type

Small organic molecule

Emp. Form.

C78H107N21O18

Mol. Mass.

1626.8141

SMILES

CCCC[C@H](NC(=O)CNC(=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](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |wU:29.34,86.91,12.20,4.4,51.58,79.82,106.110,wD:23.26,59.71,95.99,71.79,37.50,(27.31,-23.46,;25.97,-24.23,;25.97,-25.77,;24.64,-26.54,;24.64,-28.08,;23.3,-28.84,;21.97,-28.07,;21.97,-26.53,;20.64,-28.84,;19.3,-28.08,;17.97,-28.85,;17.97,-30.39,;16.63,-28.07,;16.63,-26.53,;17.97,-25.77,;19.3,-26.53,;20.64,-25.77,;20.64,-24.23,;19.29,-23.45,;17.97,-24.23,;15.3,-28.84,;13.97,-28.07,;13.97,-26.53,;12.63,-28.84,;12.63,-30.38,;13.97,-31.15,;11.3,-28.07,;9.96,-28.84,;9.96,-30.38,;8.63,-28.07,;8.64,-26.53,;9.97,-25.76,;11.3,-26.53,;9.97,-24.22,;7.3,-28.83,;5.96,-28.06,;5.97,-26.52,;4.63,-28.83,;4.63,-30.37,;5.95,-31.14,;7.22,-30.15,;8.45,-31.14,;7.97,-32.61,;8.73,-33.92,;7.97,-35.25,;6.43,-35.25,;5.67,-33.92,;6.44,-32.6,;3.3,-28.06,;1.96,-28.83,;1.96,-30.37,;.63,-28.06,;.63,-26.52,;1.97,-25.75,;3.3,-26.52,;1.97,-24.21,;-.7,-28.82,;-2.03,-28.05,;-2.03,-26.51,;-3.37,-28.82,;-3.38,-30.36,;-2.04,-31.13,;-2.05,-32.67,;-.72,-33.44,;.62,-32.67,;1.95,-33.44,;.62,-31.12,;-.71,-30.36,;-4.7,-28.05,;-6.04,-28.82,;-6.04,-30.36,;-7.37,-28.05,;-8.7,-28.82,;-8.7,-30.36,;-7.38,-31.13,;-10.04,-31.12,;-7.37,-26.51,;-8.7,-25.74,;-10.04,-26.5,;-8.7,-24.2,;-7.45,-23.28,;-7.93,-21.83,;-9.46,-21.83,;-9.94,-23.29,;-11.27,-24.05,;-11.27,-25.59,;-12.61,-23.28,;-13.95,-24.05,;-12.62,-21.72,;-13.97,-20.98,;-13.99,-19.44,;-15.3,-21.76,;25.97,-28.85,;25.97,-30.39,;27.31,-28.08,;28.64,-28.85,;28.63,-30.39,;29.97,-31.16,;29.97,-32.7,;31.3,-33.47,;31.3,-35.01,;32.63,-35.79,;29.97,-35.78,;29.98,-28.08,;29.98,-26.54,;31.31,-28.85,;32.64,-28.09,;32.64,-26.55,;33.98,-25.78,;35.3,-26.56,;36.64,-25.79,;36.64,-24.25,;35.3,-23.48,;33.97,-24.25,;33.97,-28.86,;35.31,-28.09,;33.97,-30.4,)|

Structure