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Ligand

NameCHEMBL439527
Molecular formulaC48H69N13O9S
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-(4-sulfanylphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
Molecular weight1004.22
Hydrogen bond acceptor13
Hydrogen bond donor12
XlogP-0.5
SynonymsN/A
Inchi KeyGPZLXFXCBYVQPZ-PRAUMHCQSA-N
Inchi IDInChI=1S/C48H69N13O9S/c1-27(2)39(59-41(63)33(55-38(62)25-51-5)13-9-19-53-48(49)50)44(66)56-34(21-30-15-17-32(71)18-16-30)42(64)60-40(28(3)4)45(67)57-35(23-31-24-52-26-54-31)46(68)61-20-10-14-37(61)43(65)58-36(47(69)70)22-29-11-7-6-8-12-29/h6-8,11-12,15-18,24,26-28,33-37,39-40,51,71H,9-10,13-14,19-23,25H2,1-5H3,(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 CID44338431
ChEMBLCHEMBL439527
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
102406Type-1 angiotensin II receptorP25104AGTR1Bos taurus (Bovine)359

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