Reaction Details  Report a problem with these data
Target
Atypical chemokine receptor 3
Ligand
BDBM50166106
Substrate
n/a
Meas. Tech.
ChEMBL_1499910 (CHEMBL3583504)
EC50
2400±n/a nM
Citation
 Oishi, S; Kuroyanagi, T; Kubo, T; Montpas, N; Yoshikawa, Y; Misu, R; Kobayashi, Y; Ohno, H; Heveker, N; Furuya, T; Fujii, N Development of novel CXC chemokine receptor 7 (CXCR7) ligands: selectivity switch from CXCR4 antagonists with a cyclic pentapeptide scaffold. J Med Chem 58:5218-25 (2015) [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:
BDBM50166106
Synonyms:
CHEMBL436283 | N-{3-[(2S,5S,8S,14R)-5-(3-Guanidino-propyl)-14-(4-hydroxy-benzyl)-8-naphthalen-2-ylmethyl-3,6,9,12,15-pentaoxo-1,4,7,10,13pentaaza-cyclopentadec-2-yl]-propyl}-guanidine | cyclo(-D-Tyr-Arg-Arg-Nal-Gly-)
Type:
Small organic molecule
Emp. Form.:
C36H47N11O6
Mol. Mass.:
729.8285
SMILES:
[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6]-1=O |r|
Structure:
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