MSMB (91-114) (Human) [5468]



MSMB (91-114) (Human)


SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(C)C)[C@@H](C)CC)C(=O)O
InChIKey JXASPFJVDIPKEB-XNSPQFCGSA-N
Sequence EDCKYIVVEKKDPKKTCSVSEWII
HELM PEPTIDE1{E.D.C.K.Y.I.V.V.E.K.K.D.P.K.K.T.C.S.V.S.E.W.I.I}$PEPTIDE1,PEPTIDE1,3:R3-17:R3$$$

Chemical Properties

Hydrogen bond acceptors 41
Hydrogen bond donors 39
Rotatable bonds 68
Log P -7.217
Molecular weight (Da) 2837.4
Stereochemistry info partial

Database connections


Bioactivities

Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database
Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database

MSMB (91-114) (Human)


Drug properties

Molecular type Peptide
Physiological/Surrogate Surrogate
Approved drug No

Distribution across phases (no. indications)

Phase I 0
Phase II 0
Phase III 0
Phase IV 0

Database connections


Compound is not listed as a drug.