calcitonin (Human) [1614]



calcitonin (Human)


SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CSSC[C@H](N)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)NC([C@@H](C)O)C(=O)N1)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(N)=O)C(C)C
InChIKey LDVRMNJZLWXJPL-GXQFRRLTSA-N
Sequence CGNLSTCMLGTYTQDFNKFHTFPQTAIGVGAP
HELM PEPTIDE1{C.G.N.L.S.[*C(=O)C([C@@H](C)O)N* |$_R2;;;;;;;;_R1$|].C.M.L.G.T.Y.T.Q.D.F.N.K.F.H.T.F.P.Q.T.A.I.G.V.G.A.P.[am]}$PEPTIDE1,PEPTIDE1,1:R3-7:R3$$$

Chemical Properties

Hydrogen bond acceptors 50
Hydrogen bond donors 45
Rotatable bonds 91
Log P -16.228
Molecular weight (Da) 3415.6
Stereochemistry info partial

Database connections

Structure pdb 7TYH 7TYO
Model (AF2) CT
GPCRdb related ligands

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

calcitonin (Human)


Drug properties

Molecular type Peptide
Physiological/Surrogate Endogenous
Approved drug Yes

Distribution across phases (no. indications)

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

Database connections

Structure pdb 7TYH 7TYO
Model (AF2) CT
GPCRdb related ligands

Compound is not listed as a drug.