MetaADEDB 2.0 @ LMMD
beta-Endorphin
(JMHFFDIMOUKDCZ-NTXHZHDSSA-N)
Structure
SMILES
NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)O)CCC(=O)O)CCCCN)CCCCN)Cc1ccc(cc1)O)C)CC(=O)N)CCCCN)[C@H](CC)C)[C@H](CC)C)C)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(cc1)O)N)CCSC)CO)CCC(=O)O)CCCCN)CO)CCC(=O)N)CC(C)C)CC(C)C)Cc1ccccc1
Molecular Formula:
C158H251N39O46S
Molecular Weight:
3464.980
Log P:
4.4526
Hydrogen Bond Acceptor:
86
Hydrogen Bond Donor:
48
TPSA:
1428.41
CAS Number(s):
61214-51-5
Synonym(s)
1.
beta-Endorphin
2.
Endorphin, beta
3.
beta-Endorphin (1-31)
4.
beta Endorphin
External Link(s)
MeSHD001615
PubChem Compound101600084
16132316
CHEMBLCHEMBL1866903
Therapeutic Target DatabaseD0N8LP
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Anxiety Disorders27192616CTD
2Cocaine-Related Disorders15094515CTD
3Pain6447299CTD
Powered by :

Page last updated at 2020-05-25 10:01:57 (Asia/Shanghai) | You are visitor No. 120262

Copyright © 2019-2020 Laboratory of Molecular Modeling and Design, Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology. All rights reserved.