Brief Information of the Compound and Protein
Compound Name
(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1,3-dihydroxypropylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxyhexylidene]amino]-N-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-2-[N-[(2S,3R)-1-[(2S)-1-[(2S)-1-[2-[(2S)-1-[(2S)-6-amino-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2S)-1-hydroxy-1-imino-3-phenylpropan-2-yl]iminopropan-2-yl]iminohexan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1,3-dihydroxybutan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]butanediimidic acid
    Show/Hide
PubChem ID
CID: 25181045
SID: 57287402
Canonical SMILES
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
    Show/Hide
Compound Formula C150H240N46O39
Compound Structure
Protein Name
Calcitonin gene-related peptide 1
Protein Classification
Secreted protein
Uniprot ID
P06881
Gene Name
CALCA
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000074 SK-N-MC Homo sapiens (Human)  1
1
IC50 = 0.64 nM
   TI
   LI
   LO
   TS