Reaction Details | |||
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Target | Peptidyl-prolyl cis-trans isomerase B | ||
Ligand | BDBM50323721 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1436363 (CHEMBL3389005) | ||
Kd | 2.9±n/a nM | ||
Citation | Fu, J; Tjandra, M; Becker, C; Bednarczyk, D; Capparelli, M; Elling, R; Hanna, I; Fujimoto, R; Furegati, M; Karur, S; Kasprzyk, T; Knapp, M; Leung, K; Li, X; Lu, P; Mergo, W; Miault, C; Ng, S; Parker, D; Peng, Y; Roggo, S; Rivkin, A; Simmons, RL; Wang, M; Wiedmann, B; Weiss, AH; Xiao, L; Xie, L; Xu, W; Yifru, A; Yang, S; Zhou, B; Sweeney, ZK Potent nonimmunosuppressive cyclophilin inhibitors with improved pharmaceutical properties and decreased transporter inhibition. J Med Chem57:8503-16 (2014) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Peptidyl-prolyl cis-trans isomerase B | |||
Name: | Peptidyl-prolyl cis-trans isomerase B | ||
Synonyms: | CYP-S1 | CYPB | Cyclophilin B | Cyclophilin B (CypB) | PPIB | PPIB_HUMAN | PPIase | Peptidyl-prolyl cis-trans isomerase B | Rotamase | S-cyclophilin | SCYLP | ||
Type: | Protein | ||
Mol. Mass.: | 23751.82 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P23284 | ||
Residue: | 216 | ||
Sequence: |
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BDBM50323721 | |||
n/a | |||
Name | BDBM50323721 | ||
Synonyms: | (3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-27-(2-(dimethylamino)ethylthio)-30-ethyl-33-((1R,2R,E)-1-hydroxy-2-methylhex-4-enyl)-24-(2-hydroxy-2-methylpropyl)-6,9,18-triisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone | CHEMBL1213341 | SCY-635 | ||
Type | Small organic molecule | ||
Emp. Form. | C66H120N12O13S | ||
Mol. Mass. | 1321.797 | ||
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)O)N(C)C(=O)[C@H](SCCN(C)C)N(C)C1=O)C(C)C |r| | ||
Structure |