Ki Summary

Reaction Details

Report a problem with these data

Target

E3 ubiquitin-protein ligase XIAP

Ligand

BDBM139076

Substrate/Competitor

n/a

Meas. Tech.

Fluorescence Polarization (FP) Based Competitive Assay

7.5±n/a

IC50

<30±n/a nM

Comments

extracted

Citation

Wang, S; Sheng, R; Sun, H; Liu, L; Lu, J; McEachern, D Bivalent inhibitors of IAP proteins and therapeutic methods using the same US Patent US8883771 Publication Date 11/11/2014

More Info.:

Get all data from this article, Assay Method

E3 ubiquitin-protein ligase XIAP

Name:

E3 ubiquitin-protein ligase XIAP

Synonyms:

Type:

Protein

Mol. Mass.:

56685.27

Organism:

Homo sapiens (Human)

Description:

P98170

Residue:

497

Sequence:

MTFNSFEGSKTCVPADINKEEEFVEEFNRLKTFANFPSGSPVSASTLARAGFLYTGEGDT
VRCFSCHAAVDRWQYGDSAVGRHRKVSPNCRFINGFYLENSATQSTNSGIQNGQYKVENY
LGSRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLT
PRELASAGLYYTGIGDQVQCFCCGGKLKNWEPCDRAWSEHRRHFPNCFFVLGRNLNIRSE
SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKC
FHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTTEKTP
SLTRRIDDTIFQNPMVQEAIRMGFSFKDIKKIMEEKIQISGSNYKSLEVLVADLVNAQKD
SMQDESSQTSLQKEISTEEQLRRLQEEKLCKICMDRNIAIVFVPCGHLVTCKQCAEAVDK
CPMCYTVITFKQKIFMS

BDBM139076

n/a

Name

BDBM139076

Synonyms:

US8883771, 22

Type

Small organic molecule

Emp. Form.

C62H80N12O8

Mol. Mass.

1121.3742

SMILES

CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)NC1CCC(CC1)NC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NC(c1ccccc1)c1ccccc1 |r,wU:50.59,53.72,57.65,62.69,wD:12.16,7.6,2.2,(-1.71,-4.01,;-3.04,-3.24,;-3.04,-1.7,;-1.71,-.93,;-4.38,-.93,;-4.38,.61,;-5.71,-1.7,;-7.04,-.93,;-5.95,.16,;-5.95,1.7,;-7.04,2.79,;-8.58,2.79,;-9.67,1.7,;-11.14,2.18,;-12.04,.93,;-11.14,-.32,;-9.67,.16,;-8.58,-.93,;-9.35,-2.26,;-11.91,-1.65,;-11.14,-2.98,;-13.45,-1.65,;-14.78,-.88,;-14.78,.66,;-16.11,1.43,;-16.11,2.97,;-14.78,3.74,;-13.45,2.97,;-13.45,1.43,;-16.11,-1.65,;-17.45,-.88,;-18.78,-1.65,;-18.78,-3.19,;-17.45,-3.96,;-16.11,-3.19,;-4.62,2.47,;-4.62,4.01,;-3.08,2.47,;-1.54,2.47,;-.77,1.14,;.77,1.14,;1.54,2.47,;.77,3.8,;-.77,3.8,;3.08,2.47,;4.62,2.47,;4.62,4.01,;5.95,1.7,;7.04,2.79,;8.58,2.79,;9.67,1.7,;11.14,2.18,;12.04,.93,;11.14,-.32,;9.67,.16,;8.58,-.93,;9.35,-2.26,;7.04,-.93,;5.95,.16,;5.71,-1.7,;4.38,-.93,;4.38,.61,;3.04,-1.7,;1.71,-.93,;3.04,-3.24,;1.71,-4.01,;11.91,-1.65,;11.14,-2.98,;13.45,-1.65,;14.78,-.88,;14.78,.66,;16.11,1.43,;16.11,2.97,;14.78,3.74,;13.45,2.97,;13.45,1.43,;16.11,-1.65,;16.11,-3.19,;17.45,-3.96,;18.78,-3.19,;18.78,-1.65,;17.45,-.88,)|

Structure