Brief Information of the Compound and Protein
Compound Name
 Compound Info 
2-[(1R,4S,7S,13S,19S,22R,27R,30S,33S,36S,39S,42S,45S,52R)-22-amino-4,13,19-tris(4-aminobutyl)-52-[[(2S,3R)-1-[[2-[[(2S)-1-[[(4R,7S,13S,16S,19R)-7-(4-aminobutyl)-16-(3-carbamimidamidopropyl)-4-carbamoyl-13-(hydroxymethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]carbamoyl]-42-(3-carbamimidamidopropyl)-45-(hydroxymethyl)-33-[(4-hydroxyphenyl)methyl]-7-methyl-39-(2-methylpropyl)-36-(2-methylsulfanylethyl)-3,6,9,12,15,18,21,29,32,35,38,41,44,47,54-pentadecaoxo-24,25,49,50-tetrathia-2,5,8,11,14,17,20,28,31,34,37,40,43,46,53-pentadecazabicyclo[25.20.7]tetrapentacontan-30-yl]acetic acid
    Show/Hide
 PubChem ID
CID: 145988084
Canonical SMILES
CSCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O
    Show/Hide
Compound Formula C102H172N36O32S7
Compound Structure
Protein Name
 Protein Info 
Voltage-dependent N-type calcium channel subunit alpha-1B
Protein Classification
Ion channel
>
Voltage-gated ion channel
>
Voltage-gated calcium channel
Uniprot ID
Q00975
Gene Name
CACNA1B
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  3
1
IC50 = 22 nM
   TI
   LI
   LO
   TS
2
IC50 = 48 nM
   TI
   LI
   LO
   TS
3
IC50 = 49 nM
   TI
   LI
   LO
   TS