Reaction Details Report a problem with these data
Target
Neuropeptide Y receptor type 1
Ligand
BDBM50046548
Substrate
n/a
Meas. Tech.
ChEMBL_144145 (CHEMBL750760)
Ki
>1000±n/a nM
Citation
 Kirby, DA; Koerber, SC; Craig, AG; Feinstein, RD; Delmas, L; Brown, MR; Rivier, JE Defining structural requirements for neuropeptide Y receptors using truncated and conformationally restricted analogues. J Med Chem 36:385-93 (1993) [PubMed]  Article 
Target
Name:
Neuropeptide Y receptor type 1
Synonyms:
NPY-Y1 | NPY1-R | NPY1R | NPY1R_HUMAN | NPYR | NPYY1 | neuropeptide Y receptor Y1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
44399.07
Organism:
Homo sapiens (Human)
Description:
NPY-Y1 NPY1R HUMAN::P25929
Residue:
384
Sequence:
MNSTLFSQVENHSVHSNFSEKNAQLLAFENDDCHLPLAMIFTLALAYGAVIILGVSGNLALIIIILKQKEMRNVTNILIVNLSFSDLLVAIMCLPFTFVYTLMDHWVFGEAMCKLNPFVQCVSITVSIFSLVLIAVERHQLIINPRGWRPNNRHAYVGIAVIWVLAVASSLPFLIYQVMTDEPFQNVTLDAYKDKYVCFDQFPSDSHRLSYTTLLLVLQYFGPLCFIFICYFKIYIRLKRRNNMMDKMRDNKYRSSETKRINIMLLSIVVAFAVCWLPLTIFNTVFDWNHQIIATCNHNLLFLLCHLTAMISTCVNPIFYGFLNKNFQRDLQFFFNFCDFRSRDDDYETIAMSTMHTDVSKTSLKQASPVAFKKINNNDDNEKI
  
Inhibitor
Name:
BDBM50046548
Synonyms:
CHEMBL2370634 | Tyr-c(Asp-Ser-Lys-Pro-(D-Ala)-Arg-His-(DDpr))-Ile-Asn-Leu-Ile-Thr-Arg-Gln-Arg-Tyr
Type:
Small organic molecule
Emp. Form.:
C98H157N33O26
Mol. Mass.:
2213.5007
SMILES:
[H][C@@]12CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)N[C@@H](CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](C)NC2=O)C(=O)N[C@@H]([C@@H](C)CC)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](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |wU:95.97,63.65,23.148,79.81,133.135,113.115,96.100,55.57,88.91,1.0,wD:29.62,87.89,71.73,34.35,102.104,122.124,148.152,17.18,8.9,44.46,64.67,(-9.58,-18.14,;-8.43,-16.67,;-9.98,-16.93,;-10.74,-15.55,;-9.65,-14.46,;-8.23,-15.15,;-7.65,-13.72,;-9.06,-12.97,;-6.76,-12.47,;-7.94,-11.42,;-9.46,-11.92,;-10.64,-10.86,;-12.13,-11.35,;-13.29,-10.3,;-5.6,-11.46,;-4.22,-10.73,;-4.82,-9.3,;-2.7,-10.33,;-2.94,-8.82,;-4.41,-8.22,;-1.12,-10.3,;.41,-10.63,;.89,-9.17,;1.85,-11.29,;3.08,-12.25,;4.07,-13.49,;4.75,-14.89,;6.24,-14.41,;5.08,-16.39,;5.05,-17.94,;4.65,-19.41,;3.9,-20.78,;2.88,-21.91,;3.94,-23.09,;1.59,-22.79,;2.35,-24.15,;3.93,-24.22,;4.88,-22.99,;6.37,-23.53,;6.33,-25.08,;4.83,-25.5,;.14,-23.35,;-1.42,-23.56,;-1.35,-25.11,;-2.99,-23.42,;-3.29,-24.91,;-2.1,-25.96,;-2.41,-27.45,;-1.22,-28.5,;-1.54,-30.01,;-3.02,-30.49,;-.35,-31.05,;-4.49,-22.92,;-5.83,-22.1,;-6.79,-23.3,;-6.96,-20.99,;-8.17,-21.94,;-7.81,-19.69,;-8.3,-18.22,;-9.83,-18.51,;6.61,-18.17,;7.29,-16.83,;7.8,-19.31,;9.2,-18.78,;9.47,-17.25,;10.86,-16.72,;8.34,-16.24,;8.59,-14.72,;10.33,-19.77,;10.06,-21.31,;11.72,-19.24,;12.84,-20.23,;12.58,-21.78,;13.7,-22.77,;15.12,-22.24,;13.44,-24.31,;14.25,-19.7,;14.51,-18.17,;15.38,-20.71,;16.77,-20.16,;17.03,-18.65,;18.42,-18.12,;18.7,-16.57,;19.54,-19.1,;17.89,-21.15,;17.62,-22.7,;19.3,-20.63,;20.43,-21.64,;20.15,-23.17,;21.29,-24.15,;18.75,-23.71,;18.48,-25.23,;21.81,-21.09,;22.1,-19.57,;22.93,-22.1,;24.35,-21.55,;24.61,-20.03,;23.48,-19.01,;25.99,-19.5,;25.47,-22.56,;25.2,-24.09,;26.86,-22.03,;28,-23.02,;27.72,-24.55,;28.84,-25.54,;28.57,-27.09,;29.72,-28.08,;29.45,-29.62,;30.59,-30.62,;28.05,-30.16,;29.39,-22.49,;29.66,-20.96,;30.52,-23.48,;31.91,-22.96,;32.17,-21.42,;33.58,-20.89,;33.85,-19.34,;32.72,-18.35,;35.24,-18.81,;33.05,-23.96,;32.79,-25.47,;34.45,-23.42,;35.57,-24.42,;35.3,-25.94,;36.41,-26.98,;36.16,-28.48,;37.28,-29.49,;37.02,-31.02,;38.16,-32,;35.63,-31.54,;36.95,-23.89,;37.24,-22.34,;38.1,-24.88,;39.49,-24.35,;39.76,-22.8,;41.14,-22.27,;42.28,-23.26,;43.68,-22.74,;43.94,-21.21,;45.35,-20.66,;42.81,-20.22,;41.4,-20.76,;40.61,-25.34,;42.02,-24.81,;40.35,-26.88,;2.67,-9.99,;4.23,-10.06,;4.99,-11.39,;5.05,-8.75,;6.61,-8.81,;4.29,-7.37,;4.35,-5.85,;5.18,-4.55,;4.42,-3.18,;2.81,-3.13,;2.29,-1.73,;2.01,-4.43,;2.77,-5.8,)|
Structure:
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