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Ligand

NameCHEMBL7384
Molecular formulaC39H65N13O7
IUPAC name2-[[2-[[(2R)-2-[[1-[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-1-cyano-3-(4-hydroxyphenyl)propyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight828.033
Hydrogen bond acceptor12
Hydrogen bond donor11
XlogP-2.4
SynonymsBDBM50033667
(S,S)2-{1-[2-{1-[2-[1-amino-4-amino(imino)methylaminobutylcarboxamido]-5-amino(imino)methylaminopentanoyl]tetrahydro-1H-2-pyrrolylcarboxamido}-1-cyano-3-(4-hydroxyphenyl)propylamino]-2-methylbutylcarboxamido}-4-methylpentanoic acid
Inchi KeyMAJHRMXEZVCTKE-VHYCTFFYSA-N
Inchi IDInChI=1S/C39H65N13O7/c1-5-23(4)32(35(56)51-29(37(58)59)19-22(2)3)48-30(21-40)28(20-24-12-14-25(53)15-13-24)50-34(55)31-11-8-18-52(31)36(57)27(10-7-17-47-39(44)45)49-33(54)26(41)9-6-16-46-38(42)43/h12-15,22-23,26-32,48,53H,5-11,16-20,41H2,1-4H3,(H,49,54)(H,50,55)(H,51,56)(H,58,59)(H4,42,43,46)(H4,44,45,47)/t23?,26?,27?,28-,29?,30?,31?,32?/m1/s1
PubChem CID44264697
ChEMBLN/A
IUPHARN/A
BindingDB50033667
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
200736Neurotensin receptor type 1P20789Ntsr1Rattus norvegicus (Rat)424

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