Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methylhex-4-en-1-yl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-bis(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecone
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 PubChem ID
CID: 5284373
SID: 12013381
Canonical SMILES
CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C
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Compound Formula C62H111N11O12
Compound Structure
Protein Name
 Protein Info 
Peptidyl-prolyl cis-trans isomerase A
Protein Classification
Enzyme
>
Isomerase
Uniprot ID
P62937
Gene Name
PPIA
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000001 Jurkat
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 2 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 3.7 nM
2 IC50 = 7.2 nM
3 IC50 = 8.33 nM
4 IC50 = 9 nM
5 IC50 = 9.3 nM
6 IC50 = 9.6 nM
7 IC50 = 10.25 nM
8 IC50 = 23 nM
9 IC50 = 27 nM
10 IC50 = 40.7 nM
11 IC50 = 62 nM
12 IC50 = 100 nM
13 IC50 = 950 nM
14 Ka = 1.30E+17 nM
15 Kd = 7.6 nM
16 Kd = 9 nM
17 Kd = 10 nM
18 Kd = 36.8 nM
19 Kd = 300 nM
20 Kd = 6420 nM
21 Ki = 2.64 nM
22 Ki = 7 nM
23 Ki = 9.79 nM
24 Ki = 12.2 nM
25 Ki = 20 nM
26 Ki = 227 nM
27 Ki = 231 nM