Reaction Details Report a problem with these data
Target
Melanocortin receptor 3
Ligand
BDBM50389777
Substrate
n/a
Meas. Tech.
ChEMBL_834298 (CHEMBL2073118)
Ki
121±n/a nM
Citation
 Conde-Frieboes, K; Thøgersen, H; Lau, JF; Sensfuss, U; Hansen, TK; Christensen, L; Spetzler, J; Olsen, HB; Nilsson, C; Raun, K; Dahl, K; Hansen, BS; Wulff, BS Identification and in vivo and in vitro characterization of long acting and melanocortin 4 receptor (MC4-R) selectivea-melanocyte-stimulating hormone (a-MSH) analogues. J Med Chem 55:1969-77 (2012) [PubMed]  Article 
Target
Name:
Melanocortin receptor 3
Synonyms:
MC3-R | MC3R | MC3R_HUMAN | Melanocortin MC3 | Melanocortin receptor (M3 and M4)
Type:
Enzyme
Mol. Mass.:
36044.86
Organism:
Homo sapiens (Human)
Description:
P41968
Residue:
323
Sequence:
MNASCCLPSVQPTLPNGSEHLQAPFFSNQSSSAFCEQVFIKPEVFLSLGIVSLLENILVILAVVRNGNLHSPMYFFLCSLAVADMLVSVSNALETIMIAIVHSDYLTFEDQFIQHMDNIFDSMICISLVASICNLLAIAVDRYVTIFYALRYHSIMTVRKALTLIVAIWVCCGVCGVVFIVYSESKMVIVCLITMFFAMMLLMGTLYVHMFLFARLHVKRIAALPPADGVAPQQHSCMKGAVTITILLGVFIFCWAPFFLHLVLIITCPTNPYCICYTAHFNTYLVLIMCNSVIDPLIYAFRSLELRNTFREILCGCNGMNLG
  
Inhibitor
Name:
BDBM50389777
Synonyms:
CHEMBL2070250
Type:
Small organic molecule
Emp. Form.:
C90H139N27O20
Mol. Mass.:
1919.2356
SMILES:
CCCC[C@H](NC(=O)[C@@H](N)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:8.8,76.77,126.136,115.119,33.36,24.30,104.108,86.140,wD:128.133,4.4,14.21,90.92,(-10.32,-20.03,;-9.53,-18.71,;-10.27,-17.35,;-9.48,-16.03,;-10.23,-14.69,;-11.77,-14.66,;-12.52,-13.32,;-11.73,-12,;-14.06,-13.3,;-14.85,-14.62,;-14.8,-11.95,;-14.12,-10.33,;-13.32,-9.01,;-11.78,-9.04,;-14.06,-7.67,;-15.61,-7.64,;-16.4,-8.96,;-15.79,-10.38,;-16.95,-11.4,;-18.29,-10.61,;-17.93,-9.11,;-13.28,-6.35,;-14.03,-5,;-15.56,-4.97,;-13.23,-3.68,;-11.7,-3.71,;-10.89,-2.39,;-9.35,-2.41,;-8.61,-3.76,;-8.56,-1.09,;-13.98,-2.33,;-13.2,-1.01,;-11.64,-1.04,;-13.94,.33,;-13.15,1.65,;-11.61,1.63,;-15.48,.35,;-16.23,1.7,;-15.43,3.02,;-17.77,1.73,;-18.52,3.08,;-17.72,4.4,;-16.18,4.37,;-18.47,5.74,;-17.68,7.06,;-16.14,7.04,;-15.39,5.69,;-13.85,5.66,;-13.1,4.31,;-11.56,4.29,;-10.76,5.61,;-9.22,5.58,;-8.47,4.23,;-8.43,6.9,;-6.89,6.87,;-6.14,5.52,;-4.6,5.5,;-3.86,4.15,;-2.32,4.12,;-1.57,2.78,;-.03,2.75,;.72,1.4,;2.26,1.37,;3.05,2.69,;2.3,4.04,;3.1,5.36,;2.35,6.71,;3.14,8.04,;2.4,9.38,;.86,9.57,;.58,11.07,;1.91,11.82,;3.05,10.77,;-9.44,-13.37,;-10.18,-12.02,;-7.89,-13.39,;-7.11,-12.08,;-7.68,-10.65,;-6.64,-9.02,;-6.65,-.71,;-7.74,.38,;15.34,-.66,;15.3,-5.85,;13.96,-6.61,;13.93,-8.14,;12.59,-8.9,;12.57,-10.44,;11.22,-11.18,;9.9,-10.39,;9.92,-8.86,;8.56,-11.15,;8.53,-12.69,;9.85,-13.47,;11.27,-12.87,;12.28,-14.03,;11.49,-15.35,;11.95,-16.82,;10.9,-17.95,;9.4,-17.61,;8.95,-16.14,;9.99,-15.01,;7.23,-10.36,;5.89,-11.11,;5.86,-12.65,;4.56,-10.32,;4.59,-8.78,;5.93,-8.03,;5.96,-6.49,;7.29,-5.74,;7.32,-4.2,;6,-3.41,;8.67,-3.45,;3.22,-11.07,;1.9,-10.29,;1.92,-8.74,;.56,-11.03,;.53,-12.57,;1.85,-13.36,;3.2,-12.61,;4.52,-13.4,;4.49,-14.94,;3.16,-15.69,;1.83,-14.9,;-.77,-10.24,;-2.11,-10.99,;-2.14,-12.53,;-3.43,-10.2,;-3.33,-8.65,;-4.97,-8.29,;-5.65,-6.76,;-5.82,-9.74,;-4.71,-11.01,;-5.58,-12.29,;-4.91,-13.67,;13.89,-11.23,;15.24,-10.48,;13.87,-12.76,)|
Structure:
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