Ki Summary

Reaction Details

Report a problem with these data

Target

Melanocyte-stimulating hormone receptor

Ligand

BDBM50427693

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_941843 (CHEMBL2329876)

EC50

1.1±n/a nM

Citation

Singh, A; Dirain, M; Witek, R; Rocca, JR; Edison, AS; Haskell-Luevano, C Structure-activity relationships of peptides incorporating a bioactive reverse-turn heterocycle at the melanocortin receptors: identification of a 5800-fold mouse melanocortin-3 receptor (mMC3R) selective antagonist/partial agonist versus the mouse melanocortin-4 receptor (mMC4R). J Med Chem56:2747-63 (2013) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Melanocyte-stimulating hormone receptor

Name:

Melanocyte-stimulating hormone receptor

Synonyms:

Type:

PROTEIN

Mol. Mass.:

35238.60

Organism:

Mus musculus

Description:

ChEMBL_1498846

Residue:

315

Sequence:

MSTQEPQKSLLGSLNSNATSHLGLATNQSEPWCLYVSIPDGLFLSLGLVSLVENVLVVIA
ITKNRNLHSPMYYFICCLALSDLMVSVSIVLETTIILLLEAGILVARVALVQQLDNLIDV
LICGSMVSSLCFLGIIAIDRYISIFYALRYHSIVTLPRARRAVVGIWMVSIVSSTLFITY
YKHTAVLLCLVTFFLAMLALMAILYAHMFTRACQHAQGIAQLHKRRRSIRQGFCLKGAAT
LTILLGIFFLCWGPFFLHLLLIVLCPQHPTCSCIFKNFNLFLLLIVLSSTVDPLIYAFRS
QELRMTLKEVLLCSW

BDBM50427693

n/a

Name

BDBM50427693

Synonyms:

CHEMBL2323796

Type

Small organic molecule

Emp. Form.

C83H98N20O15S3

Mol. Mass.

1711.986

SMILES

C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:96.103,82.88,5.5,63.68,37.38,13.13,wD:111.120,73.116,78.100,46.49,26.28,1.0,(24.22,-12.49,;25.56,-13.25,;26.88,-12.48,;28.22,-13.24,;28.23,-14.78,;29.55,-12.46,;30.89,-13.23,;30.89,-14.77,;32.23,-15.53,;29.56,-15.54,;29.55,-10.93,;30.88,-10.15,;32.21,-10.92,;30.9,-8.59,;32.22,-7.83,;33.51,-8.68,;34.95,-8.15,;35.9,-9.36,;35.04,-10.64,;35.42,-12.12,;34.33,-13.19,;32.85,-12.78,;32.48,-11.3,;33.56,-10.22,;29.55,-7.83,;29.56,-6.3,;28.22,-5.53,;29.56,-4.77,;30.9,-5.54,;32.22,-4.78,;33.56,-5.55,;34.89,-4.79,;36.23,-5.56,;34.9,-3.24,;28.23,-4.01,;26.91,-3.23,;26.92,-1.7,;25.56,-3.99,;25.57,-5.53,;26.9,-6.29,;26.9,-7.84,;28.24,-8.61,;28.24,-10.15,;24.25,-3.23,;22.91,-3.99,;21.55,-3.2,;22.91,-5.53,;21.57,-6.3,;20.22,-5.51,;18.87,-6.3,;17.51,-5.52,;17.5,-3.94,;18.86,-3.16,;20.23,-3.95,;16.14,-3.15,;16.15,-1.58,;14.79,-.79,;13.43,-1.57,;13.43,-3.15,;14.79,-3.93,;24.24,-6.3,;18.93,-7.89,;20.2,-8.65,;17.54,-8.66,;16.19,-7.88,;14.62,-7.92,;13.72,-9.21,;12.22,-8.76,;12.18,-7.19,;13.66,-6.67,;17.55,-10.2,;16.21,-10.98,;14.88,-10.21,;16.22,-12.52,;17.56,-13.28,;17.56,-14.82,;18.89,-15.59,;18.9,-17.13,;20.24,-17.89,;21.57,-17.11,;22.91,-17.88,;22.91,-19.42,;24.23,-17.1,;25.57,-17.87,;25.58,-19.41,;24.25,-20.18,;24.25,-21.72,;25.59,-22.48,;26.92,-21.7,;26.91,-20.17,;24.23,-15.56,;25.56,-14.79,;26.89,-15.56,;20.25,-19.43,;21.58,-20.2,;18.91,-20.2,;18.92,-21.74,;20.26,-22.51,;20.27,-24.05,;18.93,-24.82,;18.94,-26.36,;20.27,-27.12,;20.28,-28.66,;21.61,-26.34,;21.6,-24.81,;17.59,-22.52,;17.6,-24.06,;16.25,-21.75,;14.89,-13.29,;14.9,-14.83,;16.23,-15.59,;13.56,-15.6,;12.23,-14.84,;13.57,-17.14,;12.24,-17.92,;10.9,-17.16,;9.57,-17.93,;9.58,-19.47,;8.24,-20.24,;10.91,-20.24,;12.25,-19.46,)|

Structure