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Ligand

NameCHEMBL413163
Molecular formulaC48H70N14O11S
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-sulfamoylphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
Molecular weight1051.23
Hydrogen bond acceptor15
Hydrogen bond donor12
XlogP-2.1
SynonymsN/A
Inchi KeyBNNDDDCNBQUMNY-PRAUMHCQSA-N
Inchi IDInChI=1S/C48H70N14O11S/c1-27(2)39(60-41(64)33(56-38(63)25-52-5)13-9-19-54-48(49)50)44(67)57-34(21-30-15-17-32(18-16-30)74(51,72)73)42(65)61-40(28(3)4)45(68)58-35(23-31-24-53-26-55-31)46(69)62-20-10-14-37(62)43(66)59-36(47(70)71)22-29-11-7-6-8-12-29/h6-8,11-12,15-18,24,26-28,33-37,39-40,52H,9-10,13-14,19-23,25H2,1-5H3,(H,53,55)(H,56,63)(H,57,67)(H,58,68)(H,59,66)(H,60,64)(H,61,65)(H,70,71)(H4,49,50,54)(H2,51,72,73)/t33-,34-,35-,36-,37+,39-,40-/m0/s1
PubChem CID44338568
ChEMBLCHEMBL413163
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
28269Type-1 angiotensin II receptorP25104AGTR1Bos taurus (Bovine)359

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