Reaction Details Report a problem with these data
Target
Nischarin
Ligand
BDBM50016897
Substrate
n/a
Meas. Tech.
ChEMBL_1583797 (CHEMBL3815884)
Ki
126±n/a nM
Citation
Vucicevic, J; Srdic-Rajic, T; Pieroni, M; Laurila, JM; Perovic, V; Tassini, S; Azzali, E; Costantino, G; Glisic, S; Agbaba, D; Scheinin, M; Nikolic, K; Radi, M; Veljkovic, N A combined ligand- and structure-based approach for the identification of rilmenidine-derived compounds which synergize the antitumor effects of doxorubicin. Bioorg Med Chem 24:3174-83 (2016) [PubMed] Article
More Info.:
Target
Name:
Nischarin
Synonyms:
Imidazoline I1 | NISCH_RAT | Nisch | Nischarin
Type:
Enzyme Catalytic Domain
Mol. Mass.:
166460.59
Organism:
RAT
Description:
Q4G017
Residue:
1502
Sequence:
MAAATLSFGPEREAEPAKEARVVGSELVDTYTVYVIQVTDGNHEWTIKHRYSDFHDLHEKLVAERKIDKTLLPPKKIIGKNSRSLVEKREKDLEVYLQTLLKTFPDVAPRVLAHFLHFHLYEINGVTAALAEELFEKGEQLLGAGEVFAIRPLQLYAITEQLQQGKPTCASGDAKTDLGHILDFTCRLKYLKVSGTEGPFGTSNIREQLLPFDLSIFKSLHQVEMSHCDAKHVRGLVTSKPTLATMSVRFSAASMKEVLVPEASEFDEWEPEGTTLGGPVTAVIPTWQALTTLDLSHNSISEIDESVKLIPKIEYLDLSHNGVLVVDNLQHLYNLVHLDLSYNKLSSLEGVHTKLGNVKTLNLAGNFLERLSGLHKLYSLVNLDLRDNRIEQLDEVKSIGNLPCLEHVALLNNPLSIIPDYRTKVLSQFGERASEICLDDVATTEKELDTVEVLKAIQKAKDVKSKLSSTEKKVGEDFRLPTAPCIRPSSSPPTAVPTSASLPQPILSNQGIMFVQEEALASSLSSTDSLPPDDRPIAQACSNSMGSLPTGQVAAEDLRDLPGAVGGVSPDHAEPEVQVVPGSGQIIFLPFTCIGYTATNQDFIQRLSTLIRQAIERQLPAWIEAANQREEAHGEQGEEEEEEEEEDVAESRYFEMGPPDAEEEEGSGQGEEDEEDEDEEAEEERLALEWALGADEDFLLEHIRILKVLWCFLIHVQGSIRQFAACLVLTDFGIAVFEIPHQESRGSSQHILSSLRFVFCFPHGDLTEFGFLMPELCLVLKVRHSENTLFIISDAANLHEFHADLRSCFAPQHMAMLCSPILYGSHTSLQEFLRQLLTFYKVAGGSQERSQGCFPVYLVYSDKRMVQTAAGDYSGNIEWASCTLCSAVRRSCCAPSEAVKSAAIPYWLLLTSQHLNVIKADFNPMPSRGTHNCRNRNSFKLSRVPLSTVLLDPTRSCTQPRGAFADGHVLELLVGYRFVTAIFVLPHEKFHFLRVYNQLRASLKDLKTVVIAKNPSARPRTQGPLAGGQPAKSRVSAEQRLQETPAEAPAPAPAAAESAAEAPAAAEASAPAGAPAPAGAPAPAGAPAGAQAPAPAQAEVPAQYPSERLIQSTSEENQIPSHLPVCPSLQHIARLRGRAIIDLFHSSIAEVENEELRHLLWSSVVFYQTPGLEVTACVLLSTKAVYFILHDGLRRYFSEPLQDFWHQKNTDYNNSPFHISQCFVLKLSDLQSVNVGLFDQYFRLTGSSPTQVVTCLTRDSYLTHCFLQHLMLVLSSLERTPSPEPIDKDFYSEFGDKNTGKMENYELIHSSRVKFTYPSEEEVGDLTYVVAQKMADPAKNPALSILLYIQAFQVITPQLGRGRGPLRPKTLLLTSAEIFLLDEDYIHYPLPEFAKEPPQRDRYRLDDGRRVRDLDRVLMGYNPYPQALTLVFDDTQGHDLMGSVTLDHFGEMPGGPGRAGQGREVQWQVFVPSAESREKLISLLARQWEALCGRELPVELTG
Inhibitor
Name:
BDBM50016897
Synonyms:
2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) | 2-(2,6-dichloroanilino)-2-imidazoline | CLONIDINE | N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine | clonidine (amino form)
Type:
Small organic molecule
Emp. Form.:
C9H9Cl2N3
Mol. Mass.:
230.094
SMILES:
Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1