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Ligand

NameCHEMBL264253
Molecular formulaC51H54N8O10
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
Molecular weight939.039
Hydrogen bond acceptor11
Hydrogen bond donor11
XlogP0.8
SynonymsBDBM50286621
F-F-N-Y-YW
Inchi KeyBPHGVBPWTSMGDX-HAKKBKSLSA-N
Inchi IDInChI=1S/C51H54N8O10/c52-38(23-30-9-3-1-4-10-30)46(63)55-40(24-31-11-5-2-6-12-31)47(64)58-43(28-45(53)62)50(67)57-41(25-32-15-19-35(60)20-16-32)48(65)56-42(26-33-17-21-36(61)22-18-33)49(66)59-44(51(68)69)27-34-29-54-39-14-8-7-13-37(34)39/h1-22,29,38,40-44,54,60-61H,23-28,52H2,(H2,53,62)(H,55,63)(H,56,65)(H,57,67)(H,58,64)(H,59,66)(H,68,69)/t38-,40-,41-,42-,43-,44-/m0/s1
PubChem CID44371612
ChEMBLCHEMBL264253
IUPHARN/A
BindingDB50286621
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
29555Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
29556Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427

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