endothelin-2 (Human) [3217]
endothelin-2 (Human)
| SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC2=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H](C)CC |
| InChIKey |
MLFJHYIHIKEBTQ-IYRKOGFYSA-N |
| Sequence |
CSCSSWLDKECVYFCHLDIIW |
| HELM |
PEPTIDE1{C.S.C.S.S.W.L.D.K.E.C.V.Y.F.C.H.L.D.I.I.W}$PEPTIDE1,PEPTIDE1,3:R3-11:R3|PEPTIDE1,PEPTIDE1,1:R3-15:R3$$$ |
Chemical Properties
| Hydrogen bond acceptors |
35 |
| Hydrogen bond donors |
33 |
| Rotatable bonds |
46 |
| Log P |
-3.750 |
| Molecular weight (Da) |
2545.1 |
| Stereochemistry info |
partial |
Bioactivities
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| Receptor |
Activity |
Source |
| Protein |
Gene |
Species |
Family |
Class |
Type |
Min |
Avg |
Max |
Database |
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| Receptor |
Activity |
Source |
| Protein |
Gene |
Species |
Family |
Class |
Type |
Min |
Avg |
Max |
Database |
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Drug properties
| Molecular type |
Peptide |
| Physiological/Surrogate |
Endogenous |
| Approved drug |
No |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV
0
Compound is not listed as a drug.