Reaction Details  Report a problem with these data
Target
Nociceptin receptor
Ligand
BDBM50101095
Substrate
n/a
Meas. Tech.
ChEMBL_1453323 (CHEMBL3366607)
Ki
0.900000±n/a nM
Citation
 Schunk, S; Linz, K; Hinze, C; Frormann, S; Oberbörsch, S; Sundermann, B; Zemolka, S; Englberger, W; Germann, T; Christoph, T; Kögel, BY; Schröder, W; Harlfinger, S; Saunders, D; Kless, A; Schick, H; Sonnenschein, H Discovery of a Potent Analgesic NOP and Opioid Receptor Agonist: Cebranopadol. ACS Med Chem Lett 5:857-62 (2014) [PubMed]  Article
Target
Name:
Nociceptin receptor
Synonyms:
KOR-3 | Kappa-type 3 opioid receptor | Mu-type opioid receptor (Mu) | NOP | Nociceptin Receptor (ORL1 Receptor) | Nociceptin receptor (NOP) | Nociceptin receptor (ORL-1) | Nociceptin receptor (ORL1) | Nociceptin/Orphanin FQ, NOP receptor | OOR | OPIATE ORL-1 | OPRL1 | OPRL1 protein | OPRX_HUMAN | ORL1 | ORL1 receptor | Opioid receptor like-1 | Orphanin FQ receptor | Orphanin FQ receptor (ORL1) | P41146
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
40702.87
Organism:
Human
Description:
P41146
Residue:
370
Sequence:
MEPLFPAPFWEVIYGSHLQGNLSLLSPNHSLLPPHLLLNASHGAFLPLGLKVTIVGLYLAVCVGGLLGNCLVMYVILRHTKMKTATNIYIFNLALADTLVLLTLPFQGTDILLGFWPFGNALCKTVIAIDYYNMFTSTFTLTAMSVDRYVAICHPIRALDVRTSSKAQAVNVAIWALASVVGVPVAIMGSAQVEDEEIECLVEIPTPQDYWGPVFAICIFLFSFIVPVLVISVCYSLMIRRLRGVRLLSGSREKDRNLRRITRLVLVVVAVFVGCWTPVQVFVLAQGLGVQPSSETAVAILRFCTALGYVNSCLNPILYAFLDENFKACFRKFCCASALRRDVQVSDRVRSIAKDVALACKTSETVPRPA
  
Inhibitor
Name:
BDBM50101095
Synonyms:
CHEMBL3325957
Type:
Small organic molecule
Emp. Form.:
C30H35FN2O8
Mol. Mass.:
570.6059
SMILES:
OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)[C@]1(CC[C@@]2(CC1)OCCc1c2[nH]c2ccc(F)cc12)c1ccccc1 |r,wU:16.14,wD:19.21,(30.28,-8.84,;31.61,-9.6,;32.93,-8.84,;31.61,-11.13,;30.28,-11.9,;28.96,-11.13,;31.04,-13.22,;32.57,-13.22,;33.33,-14.55,;33.34,-11.9,;29.52,-13.21,;30.28,-14.54,;27.99,-13.21,;23.02,-15.74,;21.53,-16.15,;20.43,-15.06,;21.14,-17.65,;20.36,-18.98,;18.83,-18.97,;18.07,-17.64,;18.83,-16.31,;20.37,-16.32,;17.16,-18.9,;15.61,-18.74,;14.99,-17.32,;15.89,-16.07,;17.44,-16.24,;18.07,-14.82,;16.92,-13.78,;16.92,-12.23,;15.58,-11.46,;14.24,-12.24,;12.91,-11.46,;14.24,-13.78,;15.58,-14.55,;22.67,-17.66,;23.44,-19,;24.98,-19.01,;25.76,-17.68,;24.99,-16.33,;23.45,-16.33,)|
Structure:
Search PDB for entries with ligand similarity: