Reaction Details Report a problem with these data
Target
Neuropeptide Y receptor type 5
Ligand
BDBM50441971
Substrate
n/a
Meas. Tech.
ChEMBL_992047 (CHEMBL2447448)
Ki
118±n/a nM
Citation
 Berlicki, L; Kaske, M; Gutièrrez-Abad, R; Bernhardt, G; Illa, O; Ortuno, RM; Cabrele, C; Buschauer, A; Reiser, O Replacement of Thr32 and Gln34 in the C-terminal neuropeptide Y fragment 25-36 by cis-cyclobutane and cis-cyclopentane β-amino acids shifts selectivity toward the Y(4) receptor. J Med Chem 56:8422-31 (2013) [PubMed]  Article 
Target
Name:
Neuropeptide Y receptor type 5
Synonyms:
NPY-Y5 | NPY-Y5 receptor | NPY5-R | NPY5R | NPY5R_HUMAN | NPYR5 | NPYY5 | Neuropeptide Y receptor type 5 | Neuropeptide Y receptor type 5 ( NPY Y5) | Y5 receptor
Type:
Enzyme
Mol. Mass.:
50746.64
Organism:
Homo sapiens (Human)
Description:
Q15761
Residue:
445
Sequence:
MDLELDEYYNKTLATENNTAATRNSDFPVWDDYKSSVDDLQYFLIGLYTFVSLLGFMGNLLILMALMKKRNQKTTVNFLIGNLAFSDILVVLFCSPFTLTSVLLDQWMFGKVMCHIMPFLQCVSVLVSTLILISIAIVRYHMIKHPISNNLTANHGYFLIATVWTLGFAICSPLPVFHSLVELQETFGSALLSSRYLCVESWPSDSYRIAFTISLLLVQYILPLVCLTVSHTSVCRSISCGLSNKENRLEENEMINLTLHPSKKSGPQVKLSGSHKWSYSFIKKHRRRYSKKTACVLPAPERPSQENHSRILPENFGSVRSQLSSSSKFIPGVPTCFEIKPEENSDVHELRVKRSVTRIKKRSRSVFYRLTILILVFAVSWMPLHLFHVVTDFNDNLISNRHFKLVYCICHLLGMMSCCLNPILYGFLNNGIKADLVSLIHCLHM
  
Inhibitor
Name:
BDBM50441971
Synonyms:
CHEMBL2440183
Type:
Small organic molecule
Emp. Form.:
C76H119N25O19
Mol. Mass.:
1686.9142
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]1[C@@H]([C@H]1C(=O)OC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:89.92,108.110,30.39,8.17,2.2,45.46,61.62,76.77,wD:87.88,88.96,97.99,20.28,4.4,53.54,62.64,69.70,70.73,(22.23,-25.52,;22.23,-23.98,;23.57,-23.21,;24.91,-23.98,;23.57,-21.67,;22.23,-20.9,;20.91,-21.67,;20.91,-23.21,;19.57,-20.9,;19.57,-19.36,;18.24,-18.59,;18.24,-17.05,;16.89,-16.28,;15.55,-17.04,;14.22,-16.27,;15.55,-18.59,;16.89,-19.37,;18.24,-21.67,;18.24,-23.21,;19.57,-23.98,;16.9,-23.98,;16.9,-25.52,;18.24,-26.29,;18.4,-27.82,;19.91,-28.14,;20.68,-26.8,;19.64,-25.66,;15.57,-23.21,;14.24,-23.98,;14.24,-25.52,;12.91,-23.21,;12.91,-21.67,;11.57,-20.9,;11.57,-19.36,;10.24,-18.59,;10.24,-17.05,;8.92,-16.28,;11.57,-16.28,;11.57,-23.98,;10.24,-23.21,;8.92,-23.98,;10.24,-21.67,;24.91,-20.9,;24.91,-19.36,;26.23,-21.67,;27.57,-20.9,;27.57,-19.36,;28.9,-18.59,;30.23,-19.36,;28.9,-17.05,;28.9,-21.67,;28.9,-23.21,;30.23,-20.9,;31.57,-21.67,;31.57,-23.21,;32.9,-23.98,;34.23,-23.21,;32.9,-25.52,;32.9,-20.9,;32.9,-19.36,;34.23,-21.67,;35.57,-20.9,;35.57,-19.36,;36.89,-18.59,;34.23,-18.59,;34.23,-17.05,;36.89,-21.67,;36.89,-23.21,;38.23,-20.9,;39.57,-21.67,;39.57,-23.21,;38.23,-23.98,;40.9,-23.98,;40.9,-20.9,;40.9,-19.36,;42.23,-21.67,;43.56,-20.9,;43.56,-19.36,;44.89,-18.59,;44.89,-17.05,;46.23,-16.28,;46.23,-14.74,;44.89,-13.97,;47.56,-13.97,;44.89,-21.67,;44.89,-23.21,;46.23,-20.9,;47.56,-21.67,;49.1,-21.67,;48.33,-23,;48.33,-24.54,;47,-25.31,;49.67,-25.31,;49.67,-26.85,;50.43,-20.9,;50.43,-19.36,;51.76,-21.67,;53.1,-20.9,;54.43,-21.67,;55.77,-20.9,;57.09,-21.67,;58.43,-20.9,;59.76,-21.67,;59.76,-23.2,;61.09,-20.9,;53.1,-19.36,;51.76,-18.59,;54.43,-18.59,;54.43,-17.05,;53.1,-16.28,;53.1,-14.74,;54.43,-13.97,;54.44,-12.43,;53.09,-11.65,;53.09,-10.11,;51.76,-12.43,;51.75,-13.97,;55.77,-16.28,;57.09,-17.05,;55.77,-14.74,)|
Structure:
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