Ki Summary

Reaction Details

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Target

Peptidyl-prolyl cis-trans isomerase A

Ligand

BDBM50323721

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1436352 (CHEMBL3388994)

3.2±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 A

Name:

Peptidyl-prolyl cis-trans isomerase A

Synonyms:

Type:

Protein

Mol. Mass.:

18015.32

Organism:

Homo sapiens (Human)

Description:

P62937

Residue:

165

Sequence:

MVNPTVFFDIAVDGEPLGRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFHRIIPGF
MCQGGDFTRHNGTGGKSIYGEKFEDENFILKHTGPGILSMANAGPNTNGSQFFICTAKTE
WLDGKHVVFGKVKEGMNIVEAMERFGSRNGKTSKKITIADCGQLE

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