ANGIOTENSIN II

Search structure
Synonyms:
Status: Approved (2017)
Entry Type: Protein
Molecule Category: UNKNOWN
ATC: C01CX09
UNII: M089EFU921

Structure
InChI Key CZGUSIXMZVURDU-JZXHSEFVSA-N
Smile CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChI
InChI=1S/C50H71N13O12/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55)/t28-,33-,34-,35-,36-,37-,38-,40-,41-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C50H71N13O12
Molecular Weight 1046.2
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Angiotensin receptor
1-1 1-2 2 0-1 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Shock, Septic 3 D012772 ClinicalTrials
Hypertension 3 D006973 ClinicalTrials
Hypotension, Orthostatic 1 D007024 ClinicalTrials
Renal Insufficiency 1 D051437 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 4474-91-3
ChEBI 58506
ChEMBL CHEMBL408403
DrugBank DB11842
DrugCentral 5272
EPA CompTox DTXSID30196288
FDA SRS M089EFU921
Human Metabolome Database HMDB0001035
Guide to Pharmacology 2504
KEGG C02135
PubChem 172198
SureChEMBL SCHEMBL1189
ZINC ZINC000169676920
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