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Ligand

NameCHEMBL216687
Molecular formulaC48H70N14O10
IUPAC name(2S)-2-[[(2R)-1-[(2S)-2-[[(2S)-2-[[(2S)-3-(3-amino-4-hydroxyphenyl)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
Molecular weight1003.18
Hydrogen bond acceptor14
Hydrogen bond donor13
XlogP-1.7
SynonymsN/A
Inchi KeyHTHJGJYHOZBMKP-PSLJSMPYSA-N
Inchi IDInChI=1S/C48H70N14O10/c1-26(2)39(60-41(65)32(56-38(64)24-52-5)13-9-17-54-48(50)51)44(68)57-33(21-29-15-16-37(63)31(49)19-29)42(66)61-40(27(3)4)45(69)58-34(22-30-23-53-25-55-30)46(70)62-18-10-14-36(62)43(67)59-35(47(71)72)20-28-11-7-6-8-12-28/h6-8,11-12,15-16,19,23,25-27,32-36,39-40,52,63H,9-10,13-14,17-18,20-22,24,49H2,1-5H3,(H,53,55)(H,56,64)(H,57,68)(H,58,69)(H,59,67)(H,60,65)(H,61,66)(H,71,72)(H4,50,51,54)/t32-,33-,34-,35-,36+,39-,40-/m0/s1
PubChem CID44338567
ChEMBLCHEMBL216687
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
123477Type-1 angiotensin II receptorP25104AGTR1Bos taurus (Bovine)359

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