Reaction Details
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Atypical chemokine receptor 3
Ligand
BDBM50589879
Substrate
n/a
Meas. Tech.
ChEMBL_2194550 (CHEMBL5106910)
EC50
0.610000±n/a nM
Citation
Bayrak, A; Mohr, F; Kolb, K; Szpakowska, M; Shevchenko, E; Dicenta, V; Rohlfing, AK; Kudolo, M; Pantsar, T; Günther, M; Kaczor, AA; Poso, A; Chevigné, A; Pillaiyar, T; Gawaz, M; Laufer, SA Discovery and Development of First-in-Class ACKR3/CXCR7 Superagonists for Platelet Degranulation Modulation. J Med Chem 65:13365-13384 (2022) [PubMed] More Info.:
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:
BDBM50589879
Synonyms:
CHEMBL5194677
Type:
Small organic molecule
Emp. Form.:
C45H72N16O8S
Mol. Mass.:
997.221
SMILES:
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Structure:
