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Ligand

NameCHEMBL411624
Molecular formulaC48H68N12O11
IUPAC name(2R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-(3-hydroxypropanoylamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
Molecular weight989.145
Hydrogen bond acceptor13
Hydrogen bond donor12
XlogP0.9
SynonymsBDBM50408263
Inchi KeyFKZWZKJTYJYJHQ-BAYAHZKWSA-N
Inchi IDInChI=1S/C48H68N12O11/c1-27(2)39(58-41(64)33(54-38(63)18-21-61)12-8-19-52-48(49)50)44(67)55-34(22-30-14-16-32(62)17-15-30)42(65)59-40(28(3)4)45(68)56-35(24-31-25-51-26-53-31)46(69)60-20-9-13-37(60)43(66)57-36(47(70)71)23-29-10-6-5-7-11-29/h5-7,10-11,14-17,25-28,33-37,39-40,61-62H,8-9,12-13,18-24H2,1-4H3,(H,51,53)(H,54,63)(H,55,67)(H,56,68)(H,57,66)(H,58,64)(H,59,65)(H,70,71)(H4,49,50,52)/t33-,34-,35-,36+,37-,39-,40-/m0/s1
PubChem CID44339988
ChEMBLCHEMBL411624
IUPHARN/A
BindingDB50408263
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
81009Type-1 angiotensin II receptorP25104AGTR1Bos taurus (Bovine)359
81010Type-1 angiotensin II receptorP34976AGTR1Oryctolagus cuniculus (Rabbit)359

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