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Ligand

Name98395-75-6
Molecular formulaC54H78N16O10
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]butanediamide
Molecular weight1111.32
Hydrogen bond acceptor13
Hydrogen bond donor14
XlogP-1.0
SynonymsNeuromedin U-8
BDBM50049425
H-Tyr-Phe-Leu-Phe-Arg-Pro-Arg-Asn-NH2
SCHEMBL8808129
Neuromedin u 8(swinespinal cord)(9ci)
[ Show all ]
Inchi KeyWBWUFPXBZXKQCJ-AQJXLSMYSA-N
Inchi IDInChI=1S/C54H78N16O10/c1-31(2)26-40(68-50(78)41(28-32-12-5-3-6-13-32)67-46(74)36(55)27-34-19-21-35(71)22-20-34)48(76)69-42(29-33-14-7-4-8-15-33)49(77)65-38(17-10-24-63-54(60)61)52(80)70-25-11-18-43(70)51(79)64-37(16-9-23-62-53(58)59)47(75)66-39(45(57)73)30-44(56)72/h3-8,12-15,19-22,31,36-43,71H,9-11,16-18,23-30,55H2,1-2H3,(H2,56,72)(H2,57,73)(H,64,79)(H,65,77)(H,66,75)(H,67,74)(H,68,78)(H,69,76)(H4,58,59,62)(H4,60,61,63)/t36-,37-,38-,39-,40-,41-,42-,43-/m0/s1
PubChem CID10351235
ChEMBLCHEMBL3356083
IUPHARN/A
BindingDB50049425
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
456380Neuromedin-U receptor 1O55040Nmur1Mus musculus (Mouse)428
456379Neuromedin-U receptor 2Q8BZ39Nmur2Mus musculus (Mouse)395

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