Reaction Details Report a problem with these data
Target
Lutropin-choriogonadotropic hormone receptor
Ligand
BDBM50230123
Substrate
n/a
Meas. Tech.
ChEMBL_100017 (CHEMBL709254)
Ki
0.093325±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:
BDBM50230123
Synonyms:
CHEMBL385042
Type:
Small organic molecule
Emp. Form.:
C61H85N15O12
Mol. Mass.:
1220.4209
SMILES:
CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1 |wU:39.49,57.72,31.36,23.28,5.4,82.86,wD:51.55,72.83,12.20,(29.65,-8.55,;30.04,-10.04,;31.53,-10.45,;32.6,-11.55,;34.09,-11.18,;32.18,-13.04,;33.11,-14.25,;32.25,-15.54,;30.77,-15.11,;30.72,-13.57,;29.44,-12.71,;29.55,-11.16,;28.05,-13.38,;27.95,-14.92,;29.23,-15.78,;29.12,-17.32,;30.4,-18.18,;30.28,-19.72,;31.56,-20.59,;28.9,-20.4,;26.77,-12.51,;25.39,-13.18,;25.28,-14.73,;24.12,-12.32,;24.22,-10.79,;25.61,-10.11,;26.89,-10.97,;25.72,-8.57,;22.72,-12.99,;21.45,-12.14,;21.54,-10.6,;20.06,-12.81,;19.94,-14.34,;20.71,-15.68,;22.24,-15.69,;19.93,-17.01,;18.78,-11.95,;17.39,-12.62,;17.27,-14.16,;16.11,-11.76,;16.22,-10.22,;17.61,-9.55,;17.71,-8,;19.1,-7.33,;20.38,-8.19,;21.77,-7.51,;20.27,-9.73,;18.89,-10.41,;14.73,-12.44,;13.44,-11.57,;13.55,-10.02,;12.06,-12.24,;11.95,-13.78,;13.23,-14.64,;10.78,-11.38,;9.39,-12.06,;9.28,-13.6,;8.11,-11.18,;8.22,-9.65,;9.3,-8.56,;10.79,-8.95,;11.87,-7.86,;11.46,-6.37,;9.97,-5.99,;9.56,-4.51,;8.07,-4.14,;7,-5.24,;7.42,-6.71,;8.9,-7.09,;6.72,-11.86,;5.44,-11,;5.56,-9.46,;4.07,-11.67,;3.95,-13.22,;5.23,-14.08,;5.28,-15.62,;6.76,-16.05,;7.63,-14.78,;6.68,-13.55,;2.77,-10.81,;1.39,-11.48,;1.29,-13.03,;.22,-10.69,;.22,-9.28,;-1.3,-9.05,;-1.99,-10.42,;-3.5,-10.67,;-.9,-11.51,)|
Structure:
Search PDB for entries with ligand similarity: