Target
Atypical chemokine receptor 3
Ligand
BDBM50250401
Substrate
n/a
Meas. Tech.
ChEMBL_1681650 (CHEMBL4031927)
Ki
25±n/a nM
Citation
 Boehm, MBeaumont, KJones, RKalgutkar, ASZhang, LAtkinson, KBai, GBrown, JAEng, HGoetz, GHHolder, BRKhunte, BLazzaro, SLimberakis, CRyu, SShapiro, MJTylaska, LYan, JTurner, RLeung, SSFRamaseshan, MPrice, DALiras, SJacobson, MPEarp, DJLokey, RSMathiowetz, AMMenhaji-Klotz, E Discovery of Potent and Orally Bioavailable Macrocyclic Peptide-Peptoid Hybrid CXCR7 Modulators. J Med Chem 60:9653-9663 (2017) [PubMed]  Article 
Target
Name:
Atypical chemokine receptor 3
Synonyms:
ACKR3 | ACKR3_HUMAN | C-X-C chemokine receptor type 7 | C-X-C chemokine receptor type 7 (CXCR7) | CMKOR1 | CXC-R7 | CXCR-7 | CXCR7 | Chemokine orphan receptor 1 | G-protein coupled receptor 159 | G-protein coupled receptor RDC1 homolog | GPR159 | RDC-1 | RDC1
Type:
Enzyme
Mol. Mass.:
41498.84
Organism:
Homo sapiens (Human)
Description:
P25106
Residue:
362
Sequence:
MDLHLFDYSEPGNFSDISWPCNSSDCIVVDTVMCPNMPNKSVLLYTLSFIYIFIFVIGMIANSVVVWVNIQAKTTGYDTHCYILNLAIADLWVVLTIPVWVVSLVQHNQWPMGELTCKVTHLIFSINLFGSIFFLTCMSVDRYLSITYFTNTPSSRKKMVRRVVCILVWLLAFCVSLPDTYYLKTVTSASNNETYCRSFYPEHSIKEWLIGMELVSVVLGFAVPFSIIAVFYFLLARAISASSDQEKHSSRKIIFSYVVVFLVCWLPYHVAVLLDIFSILHYIPFTCRLEHALFTALHVTQCLSLVHCCVNPVLYSFINRNYRYELMKAFIFKYSAKTGLTKLIDASRVSETEYSALEQSTK
  
Inhibitor
Name:
BDBM50250401
Synonyms:
CHEMBL4067701
Type:
Small organic molecule
Emp. Form.:
C50H56N8O6S
Mol. Mass.:
897.095
SMILES:
O=C1CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](Cc2cscn2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCc2ccccc2)N1 |r|
Structure:
Search PDB for entries with ligand similarity: