Reaction Details  Report a problem with these data
Target
Ribonucleoside-diphosphate reductase large subunit
Ligand
BDBM50500171
Substrate
n/a
Meas. Tech.
ChEMBL_1543977 (CHEMBL3750222)
Kd
35550±n/a nM
Citation
 Ahmad, MF; Huff, SE; Pink, J; Alam, I; Zhang, A; Perry, K; Harris, ME; Misko, T; Porwal, SK; Oleinick, NL; Miyagi, M; Viswanathan, R; Dealwis, CG Identification of Non-nucleoside Human Ribonucleotide Reductase Modulators. J Med Chem 58:9498-509 (2015) [PubMed]  Article
Target
Name:
Ribonucleoside-diphosphate reductase large subunit
Synonyms:
RIR1_HUMAN | RR1 | RRM1 | Ribonucleoside-diphosphate reductase M1 chain | Ribonucleoside-diphosphate reductase subunit M1 | Ribonucleotide reductase large subunit
Type:
PROTEIN
Mol. Mass.:
90074.67
Organism:
Homo sapiens (Human)
Description:
ChEMBL_90946
Residue:
792
Sequence:
MHVIKRDGRQERVMFDKITSRIQKLCYGLNMDFVDPAQITMKVIQGLYSGVTTVELDTLAAETAATLTTKHPDYAILAARIAVSNLHKETKKVFSDVMEDLYNYINPHNGKHSPMVAKSTLDIVLANKDRLNSAIIYDRDFSYNYFGFKTLERSYLLKINGKVAERPQHMLMRVSVGIHKEDIDAAIETYNLLSERWFTHASPTLFNAGTNRPQLSSCFLLSMKDDSIEGIYDTLKQCALISKSAGGIGVAVSCIRATGSYIAGTNGNSNGLVPMLRVYNNTARYVDQGGNKRPGAFAIYLEPWHLDIFEFLDLKKNTGKEEQRARDLFFALWIPDLFMKRVETNQDWSLMCPNECPGLDEVWGEEFEKLYASYEKQGRVRKVVKAQQLWYAIIESQTETGTPYMLYKDSCNRKSNQQNLGTIKCSNLCTEIVEYTSKDEVAVCNLASLALNMYVTSEHTYDFKKLAEVTKVVVRNLNKIIDINYYPVPEACLSNKRHRPIGIGVQGLADAFILMRYPFESAEAQLLNKQIFETIYYGALEASCDLAKEQGPYETYEGSPVSKGILQYDMWNVTPTDLWDWKVLKEKIAKYGIRNSLLIAPMPTASTAQILGNNESIEPYTSNIYTRRVLSGEFQIVNPHLLKDLTERGLWHEEMKNQIIACNGSIQSIPEIPDDLKQLYKTVWEISQKTVLKMAAERGAFIDQSQSLNIHIAEPNYGKLTSMHFYGWKQGLKTGMYYLRTRPAANPIQFTLNKEKLKDKEKVSKEEEEKERNTAAMVCSLENRDECLMCGS
  
Inhibitor
Name:
BDBM50500171
Synonyms:
CHEMBL600902 | GNF-Pf-721
Type:
Small organic molecule
Emp. Form.:
C46H50N4O4
Mol. Mass.:
722.9136
SMILES:
OC(COc1ccc(OCC(O)CN2CCN(CC2)C2c3ccccc3-c3ccccc23)cc1)CN1CCN(CC1)C1c2ccccc2-c2ccccc12
Structure:
Search PDB for entries with ligand similarity: