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Ligand

NameCHEMBL431218
Molecular formulaC46H68N8O8
IUPAC name(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-6-aminohexanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
Molecular weight861.098
Hydrogen bond acceptor9
Hydrogen bond donor9
XlogP1.7
SynonymsAc-D-Phe-Leu-Lys-Ile-Ile-Trp
BDBM50045260
Inchi KeyDYCJTRVZUAXNDM-POHSHLOQSA-N
Inchi IDInChI=1S/C46H68N8O8/c1-8-28(5)39(44(59)52-38(46(61)62)25-32-26-48-34-20-14-13-19-33(32)34)54-45(60)40(29(6)9-2)53-41(56)35(21-15-16-22-47)50-42(57)36(23-27(3)4)51-43(58)37(49-30(7)55)24-31-17-11-10-12-18-31/h10-14,17-20,26-29,35-40,48H,8-9,15-16,21-25,47H2,1-7H3,(H,49,55)(H,50,57)(H,51,58)(H,52,59)(H,53,56)(H,54,60)(H,61,62)/t28-,29-,35-,36-,37+,38-,39-,40-/m0/s1
PubChem CID44320908
ChEMBLCHEMBL431218
IUPHARN/A
BindingDB50045260
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
71864Endothelin receptor type BP21451EdnrbRattus norvegicus (Rat)442
71863Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427

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