Reaction Details Report a problem with these data
Target
Lutropin-choriogonadotropic hormone receptor
Ligand
BDBM50230129
Substrate
n/a
Meas. Tech.
ChEMBL_100017 (CHEMBL709254)
Ki
0.042658±n/a nM
Citation
 Haviy, F; Fitzpatrick, TD; Nichols, CJ; Swenson, RE; Bush, EN; Diaz, G; Nguyen, A; Nellans, HN; Hoffman, DJ; Ghanbari, H Stabilization of the N-terminal residues of luteinizing hormone-releasing hormone agonists and the effect on pharmacokinetics. J Med Chem 35:3890-4 (1992) [PubMed]  Article 
Target
Name:
Lutropin-choriogonadotropic hormone receptor
Synonyms:
LH/CG-R | LSH-R | LSHR_RAT | Lhcgr | Luteinizing hormone receptor | Luteinizing hormone/Choriogonadotropin receptor | Lutropin-choriogonadotropic hormone receptor
Type:
PROTEIN
Mol. Mass.:
78049.26
Organism:
Rattus norvegicus
Description:
ChEMBL_97289
Residue:
700
Sequence:
MGRRVPALRQLLVLAVLLLKPSQLQSRELSGSRCPEPCDCAPDGALRCPGPRAGLARLSLTYLPVKVIPSQAFRGLNEVVKIEISQSDSLERIEANAFDNLLNLSELLIQNTKNLLYIEPGAFTNLPRLKYLSICNTGIRTLPDVTKISSSEFNFILEICDNLHITTIPGNAFQGMNNESVTLKLYGNGFEEVQSHAFNGTTLISLELKENIYLEKMHSGAFQGATGPSILDISSTKLQALPSHGLESIQTLIALSSYSLKTLPSKEKFTSLLVATLTYPSHCCAFRNLPKKEQNFSFSIFENFSKQCESTVRKADNETLYSAIFEENELSGWDYDYGFCSPKTLQCAPEPDAFNPCEDIMGYAFLRVLIWLINILAIFGNLTVLFVLLTSRYKLTVPRFLMCNLSFADFCMGLYLLLIASVDSQTKGQYYNHAIDWQTGSGCGAAGFFTVFASELSVYTLTVITLERWHTITYAVQLDQKLRLRHAIPIMLGGWLFSTLIATMPLVGISNYMKVSICLPMDVESTLSQVYILSILILNVVAFVVICACYIRIYFAVQNPELTAPNKDTKIAKKMAILIFTDFTCMAPISFFAISAAFKVPLITVTNSKILLVLFYPVNSCANPFLYAIFTKAFQRDFLLLLSRFGCCKRRAELYRRKEFSAYTSNCKNGFPGASKPSQATLKLSTVHCQQPIPPRALTH
  
Inhibitor
Name:
BDBM50230129
Synonyms:
CHEMBL407123
Type:
Small organic molecule
Emp. Form.:
C67H84N16O14
Mol. Mass.:
1337.4827
SMILES:
CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)NCC(O)=O |wU:42.57,23.34,8.21,4.4,89.97,66.71,wD:56.68,75.81,35.38,(22.87,-8.85,;21.6,-7.99,;21.71,-6.46,;20.2,-8.67,;20.11,-10.2,;18.72,-10.89,;17.44,-10.03,;17.55,-8.48,;16.05,-10.7,;15.95,-12.23,;16.7,-13.56,;18.23,-13.58,;19,-14.91,;18.21,-16.25,;18.95,-17.58,;18.18,-18.9,;16.64,-18.88,;15.89,-17.55,;16.68,-16.23,;15.91,-14.89,;14.77,-9.83,;13.39,-10.5,;13.28,-12.05,;12.12,-9.64,;12.22,-8.11,;13.61,-7.44,;14.89,-8.3,;16.27,-7.62,;16.37,-6.08,;17.77,-5.41,;15.1,-5.21,;13.72,-5.9,;10.73,-10.31,;9.45,-9.46,;9.55,-7.9,;8.06,-10.13,;7.95,-11.66,;9.24,-12.54,;6.79,-9.27,;6.88,-7.74,;5.39,-9.94,;5.28,-11.48,;4.12,-9.08,;4.23,-7.54,;5.62,-6.87,;7.15,-6.65,;7.41,-5.14,;6.06,-4.41,;5.7,-2.91,;4.21,-2.48,;3.1,-3.55,;3.47,-5.05,;4.94,-5.48,;2.74,-9.75,;1.45,-8.89,;1.56,-7.34,;.08,-9.56,;-.04,-11.1,;1.24,-11.96,;1.28,-13.51,;2.77,-13.94,;3.63,-12.66,;2.68,-11.43,;-1.21,-8.71,;-2.59,-9.38,;-2.71,-10.92,;-3.76,-8.59,;-3.76,-7.16,;-5.29,-6.93,;-5.97,-8.31,;-7.49,-8.57,;-4.87,-9.39,;21.39,-11.07,;21.27,-12.61,;22.77,-10.4,;24.05,-11.27,;23.94,-12.8,;25.22,-13.67,;25.1,-15.21,;26.38,-16.06,;26.26,-17.6,;27.56,-18.46,;24.89,-18.28,;25.43,-10.59,;25.54,-9.05,;26.7,-11.45,;26.77,-13,;28.24,-13.43,;29.11,-12.14,;28.17,-10.92,;28.58,-9.43,;30.09,-9.08,;27.52,-8.34,;26.03,-7.92,;25.64,-6.44,;24.17,-6.02,;26.73,-5.36,)|
Structure:
Search PDB for entries with ligand similarity: