Ki Summary

Reaction Details

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Target

Melanocyte-stimulating hormone receptor

Ligand

BDBM50230822

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_460498 (CHEMBL926578)

IC50

>10000±n/a nM

Citation

Mayorov, AV; Cai, M; Palmer, ES; Dedek, MM; Cain, JP; Van Scoy, AR; Tan, B; Vagner, J; Trivedi, D; Hruby, VJ Structure-activity relationships of cyclic lactam analogues of alpha-melanocyte-stimulating hormone (alpha-MSH) targeting the human melanocortin-3 receptor. J Med Chem51:187-95 (2008) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Melanocyte-stimulating hormone receptor

Name:

Melanocyte-stimulating hormone receptor

Synonyms:

Type:

Enzyme

Mol. Mass.:

34717.23

Organism:

Homo sapiens (Human)

Description:

Q01726

Residue:

317

Sequence:

MAVQGSQRRLLGSLNSTPTAIPQLGLAANQTGARCLEVSISDGLFLSLGLVSLVENALVV
ATIAKNRNLHSPMYCFICCLALSDLLVSGSNVLETAVILLLEAGALVARAAVLQQLDNVI
DVITCSSMLSSLCFLGAIAVDRYISIFYALRYHSIVTLPRARRAVAAIWVASVVFSTLFI
AYYDHVAVLLCLVVFFLAMLVLMAVLYVHMLARACQHAQGIARLHKRQRPVHQGFGLKGA
VTLTILLGIFFLCWGPFFLHLTLIVLCPEHPTCGCIFKNFNLFLALIICNAIIDPLIYAF
HSQELRRTLKEVLTCSW

BDBM50230822

n/a

Name

BDBM50230822

Synonyms:

(3R,6S,9S,12S,25aS)-3-benzyl-6-(3-carbamimidamidopropyl)-9-(1H-indol-3-ylmethyl)-1,4,7,10,18,21-hexaoxo-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H,11H,12H,13H,14H,15H,16H,17H,18H,21H,23H,24H,25H,25aH-pyrrolo[2,1-l]1,4,7,10,13,18-hexaazacyclotricosane-12-carboxamide | CHEMBL400866

Type

Small organic molecule

Emp. Form.

C41H53N11O7

Mol. Mass.

811.929

SMILES

NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)C=CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |w:29.30,wU:22.27,42.44,7.6,11.11,wD:38.60,(29.44,-37.07,;28.12,-37.86,;26.79,-37.09,;28.13,-39.4,;26.79,-40.17,;26.8,-41.72,;25.46,-42.49,;25.47,-44.03,;24.14,-44.81,;22.8,-44.04,;22.79,-42.49,;21.46,-44.81,;21.47,-46.36,;22.81,-47.12,;22.76,-48.48,;24.14,-49.43,;25.55,-48.86,;25.47,-47.1,;24.15,-46.35,;20.13,-44.06,;19,-45.1,;19.34,-46.59,;17.53,-44.65,;17.02,-43.18,;15.48,-43.21,;15.02,-44.69,;16.3,-45.57,;16.3,-47.34,;17.83,-48.21,;14.77,-48.22,;14.77,-49.99,;16.31,-50.86,;16.31,-52.63,;22.72,-51.69,;24.12,-50.9,;25.44,-51.69,;26.78,-50.93,;26.8,-49.39,;28.12,-48.65,;28.14,-47.1,;29.47,-46.33,;30.81,-47.09,;29.46,-44.78,;30.8,-44.01,;32.14,-44.79,;32.32,-46.31,;33.82,-46.62,;34.58,-45.29,;36.07,-44.96,;36.56,-43.5,;35.51,-42.37,;34.02,-42.69,;33.55,-44.15,;28.13,-44.03,;26.81,-44.79,;26.82,-46.35,;29.44,-49.42,;30.78,-48.68,;29.43,-50.97,)|

Structure