Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetNeurokinin 3 receptor
LigandBDBM50001600
Substrate/Competitorn/a
Meas. Tech.ChEBML_209701
EC50 2627±n/a nM
Citation Deal, MJHagan, RMIreland, SJJordan, CCMcElroy, ABPorter, BRoss, BCStephens-Smith, MWard, P Conformationally constrained tachykinin analogues: potent and highly selective neurokinin NK-2 receptor agonists. J Med Chem35:4195-204 (1992) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Neurokinin 3 receptor
Name:Neurokinin 3 receptor
Synonyms:n/a
Type:n/a
Mol. Mass.:51128.60
Organism:Rattus norvegicus
Description:ChEMBL_10983
Residue:452
Sequence:
MASVPRGENWTDGTVEVGTHTGNLSSALGVTEWLALQAGNFSSALGLPATTQAPSQVRAN
LTNQFVQPSWRIALWSLAYGLVVAVAVFGNLIVIWIILAHKRMRTVTNYFLVNLAFSDAS
VAAFNTLINFIYGLHSEWYFGANYCRFQNFFPITAVFASIYSMTAIAVDRYMAIIDPLKP
RLSATATKIVIGSIWILAFLLAFPQCLYSKIKVMPGRTLCYVQWPEGPKQHFTYHIIVII
LVYCFPLLIMGVTYTIVGITLWGGEIPGDTCDKYHEQLKAKRKVVKMMIIVVVTFAICWL
PYHVYFILTAIYQQLNRWKYIQQVYLASFWLAMSSTMYNPIIYCCLNKRFRAGFKRAFRW
CPFIQVSSYDELELKTTRFHPTRQSSLYTVSRMESVTVLFDPNDGDPTKSSRKKRAVPRD
PSANGCSHRGSKSASTTSSFISSPYTSVDEYS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50001600
NameBDBM50001600
Synonyms:CHEMBL267712 | N-{1-[1-(1-Benzyl-2-{5-[1-(1-carbamoyl-3-methylsulfanyl-propylcarbamoyl)-3-methyl-butyl]-6-oxo-hexahydro-pyrrolo[3,4-b]pyrrol-1-yl}-2-oxo-ethylcarbamoyl)-2-phenyl-ethylcarbamoyl]-2-hydroxy-ethyl}-3-(2,6-diamino-hexanoylamino)-succinamic acid
TypeSmall organic molecule
Emp. Form.C48H70N10O11S
Mol. Mass.995.195
SMILESCSCC[C@H](NC(=O)[C@H](CC(C)C)N1CC2CCN(C2C1=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCCN)C(N)=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a