Reaction Details
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Nischarin
Ligand
BDBM50514722
Substrate
n/a
Meas. Tech.
ChEMBL_1858223 (CHEMBL4358952)
IC50
5495±n/a nM
Citation
Abás, S; Rodríguez-Arévalo, S; Bagán, A; Grińán-Ferré, C; Vasilopoulou, F; Brocos-Mosquera, I; Muguruza, C; Pérez, B; Molins, E; Luque, FJ; Pérez-Lozano, P; de Jonghe, S; Daelemans, D; Naesens, L; Brea, J; Loza, MI; Hernández-Hernández, E; García-Sevilla, JA; García-Fuster, MJ; Radan, M; Djikic, T; Nikolic, K; Pallŕs, M; Callado, LF; Escolano, C Bicyclic ?-Iminophosphonates as High Affinity Imidazoline I J Med Chem 63:3610-3633 (2020) [PubMed] Article More Info.:
Target
Name:
Nischarin
Synonyms:
IRAS | Imidazoline I2 | Imidazoline receptor 1 (I1R) | KIAA0975 | NISCH | NISCH_HUMAN | Nischarin
Type:
Enzyme
Mol. Mass.:
166571.31
Organism:
Homo sapiens (Human)
Description:
Q9Y2I1
Residue:
1504
Sequence:
MATARTFGPEREAEPAKEARVVGSELVDTYTVYIIQVTDGSHEWTVKHRYSDFHDLHEKLVAERKIDKNLLPPKKIIGKNSRSLVEKREKDLEVYLQKLLAAFPGVTPRVLAHFLHFHFYEINGITAALAEELFEKGEQLLGAGEVFAIGPLQLYAVTEQLQQGKPTCASGDAKTDLGHILDFTCRLKYLKVSGTEGPFGTSNIQEQLLPFDLSIFKSLHQVEISHCDAKHIRGLVASKPTLATLSVRFSATSMKEVLVPEASEFDEWEPEGTTLEGPVTAVIPTWQALTTLDLSHNSVSEIDESVKLIPKIEFLDLSHNGLLVVDNLQHLYNLVHLDLSYNKLSSLEGLHTKLGNIKTLNLAGNLLESLSGLHKLYSLVNLDLRDNRIEQMEEVRSIGSLPCLEHVSLLNNPLSIIPDYRTKVLAQFGERASEVCLDDTVTTEKELDTVEVLKAIQKAKEVKSKLSNPEKKGGEDSRLSAAPCIRPSSSPPTVAPASASLPQPILSNQGIMFVQEEALASSLSSTDSLTPEHQPIAQGCSDSLESIPAGQAASDDLRDVPGAVGGASPEHAEPEVQVVPGSGQIIFLPFTCIGYTATNQDFIQRLSTLIRQAIERQLPAWIEAANQREEGQGEQGEEEDEEEEEEEDVAENRYFEMGPPDVEEEEGGGQGEEEEEEEEDEEAEEERLALEWALGADEDFLLEHIRILKVLWCFLIHVQGSIRQFAACLVLTDFGIAVFEIPHQESRGSSQHILSSLRFVFCFPHGDLTEFGFLMPELCLVLKVRHSENTLFIISDAANLHEFHADLRSCFAPQHMAMLCSPILYGSHTSLQEFLRQLLTFYKVAGGCQERSQGCFPVYLVYSDKRMVQTAAGDYSGNIEWASCTLCSAVRRSCCAPSEAVKSAAIPYWLLLTPQHLNVIKADFNPMPNRGTHNCRNRNSFKLSRVPLSTVLLDPTRSCTQPRGAFADGHVLELLVGYRFVTAIFVLPHEKFHFLRVYNQLRASLQDLKTVVIAKTPGTGGSPQGSFADGQPAERRASNDQRPQEVPAEALAPAPAEVPAPAPAAASASGPAKTPAPAEASTSALVPEETPVEAPAPPPAEAPAQYPSEHLIQATSEENQIPSHLPACPSLRHVASLRGSAIIELFHSSIAEVENEELRHLMWSSVVFYQTPGLEVTACVLLSTKAVYFVLHDGLRRYFSEPLQDFWHQKNTDYNNSPFHISQCFVLKLSDLQSVNVGLFDQHFRLTGSTPMQVVTCLTRDSYLTHCFLQHLMVVLSSLERTPSPEPVDKDFYSEFGNKTTGKMENYELIHSSRVKFTYPSEEEIGDLTFTVAQKMAEPEKAPALSILLYVQAFQVGMPPPGCCRGPLRPKTLLLTSSEIFLLDEDCVHYPLPEFAKEPPQRDRYRLDDGRRVRDLDRVLMGYQTYPQALTLVFDDVQGHDLMGSVTLDHFGEVPGGPARASQGREVQWQVFVPSAESREKLISLLARQWEALCGRELPVELTG
Inhibitor
Name:
BDBM50514722
Synonyms:
CHEMBL4438801
Type:
Small organic molecule
Emp. Form.:
C22H22N3O7P
Mol. Mass.:
471.3997
SMILES:
CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1cccc(c1)[N+]([O-])=O)c1ccccc1 |c:9|
Structure:
