helodermin [3923]



helodermin


SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O
InChIKey SSAAJZQUEUTACT-MDBKHZGBSA-N
Sequence HSDAIFTEEYSKLLAKLALQKYLASILGSRTSPPP
HELM PEPTIDE1{H.S.D.A.I.F.T.Q.Q.Y.S.K.L.L.A.K.L.A.L.Q.K.Y.L.A.S.I.L.G.S.R.T.S.P.P.P.[am]}$$$$

Chemical Properties

Hydrogen bond acceptors 54
Hydrogen bond donors 53
Rotatable bonds 124
Log P -15.370
Molecular weight (Da) 3841.1
Stereochemistry info partial

Database connections

Model (AF2) VPAC1 VPAC2

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

helodermin


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

Model (AF2) VPAC1 VPAC2

Compound is not listed as a drug.