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Ligand

NameCHEMBL268342
Molecular formulaC48H69N13O9
IUPAC name(2S)-2-[[(2R)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
Molecular weight972.162
Hydrogen bond acceptor12
Hydrogen bond donor11
XlogP-0.7
SynonymsN/A
Inchi KeyHOJKDBJDOJARGL-PRAUMHCQSA-N
Inchi IDInChI=1S/C48H69N13O9/c1-28(2)39(59-41(63)33(55-38(62)26-51-5)18-12-20-53-48(49)50)44(66)56-34(22-30-14-8-6-9-15-30)42(64)60-40(29(3)4)45(67)57-35(24-32-25-52-27-54-32)46(68)61-21-13-19-37(61)43(65)58-36(47(69)70)23-31-16-10-7-11-17-31/h6-11,14-17,25,27-29,33-37,39-40,51H,12-13,18-24,26H2,1-5H3,(H,52,54)(H,55,62)(H,56,66)(H,57,67)(H,58,65)(H,59,63)(H,60,64)(H,69,70)(H4,49,50,53)/t33-,34-,35-,36-,37+,39-,40-/m0/s1
PubChem CID44338506
ChEMBLCHEMBL268342
IUPHARN/A
BindingDBN/A
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
120041Type-1 angiotensin II receptorP25104AGTR1Bos taurus (Bovine)359

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