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Ligand

NameCHEMBL21448
Molecular formulaC43H66N10O7
IUPAC name(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[3-[6-(diaminomethylideneamino)hexyl]-7-[5-(diaminomethylideneamino)pentoxy]-1H-indole-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight835.064
Hydrogen bond acceptor9
Hydrogen bond donor10
XlogP5.0
SynonymsBDBM50282577
Mimic-2
(S)-2-{(2S,3S)-2-[(S)-2-{[3-(6-Guanidino-hexyl)-7-(5-guanidino-pentyloxy)-1H-indole-2-carbonyl]-amino}-3-(4-hydroxy-phenyl)-propionylamino]-3-methyl-pentanoylamino}-4-methyl-pentanoic acid with di TFA
CHEMBL1178333
Inchi KeyWNVBEQHDNANJCC-FCYJCMBSSA-N
Inchi IDInChI=1S/C43H66N10O7/c1-5-27(4)35(39(56)51-33(41(58)59)24-26(2)3)53-38(55)32(25-28-17-19-29(54)20-18-28)50-40(57)37-31(14-9-6-7-10-21-48-42(44)45)30-15-13-16-34(36(30)52-37)60-23-12-8-11-22-49-43(46)47/h13,15-20,26-27,32-33,35,52,54H,5-12,14,21-25H2,1-4H3,(H,50,57)(H,51,56)(H,53,55)(H,58,59)(H4,44,45,48)(H4,46,47,49)/t27-,32-,33-,35-/m0/s1
PubChem CID10010720
ChEMBLN/A
IUPHARN/A
BindingDB50282577
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
377949Neurotensin receptor type 1P20789Ntsr1Rattus norvegicus (Rat)424

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