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Target
Microtubule-associated protein 2
Ligand
BDBM50547190
Substrate
n/a
Meas. Tech.
ChEMBL_2017292 (CHEMBL4670870)
IC50
3.2±n/a nM
Citation
 Hirst, DJ; Brandt, M; Bruton, G; Christodoulou, E; Cutler, L; Deeks, N; Goodacre, JD; Jack, T; Lindon, M; Miah, A; Page, K; Parr, N; Shukla, L; Sims, M; Thomas, P; Thorpe, J; Holmes, DS Structure-based optimisation of orally active & reversible MetAP-2 inhibitors maintaining a tight 'molecular budget'. Bioorg Med Chem Lett 30:0 (2020) [PubMed]  Article 
Target
Name:
Microtubule-associated protein 2
Synonyms:
MAP-2 | MAP2 | MTAP2_HUMAN
Type:
PROTEIN
Mol. Mass.:
199423.64
Organism:
Homo sapiens (Human)
Description:
ChEMBL_107603
Residue:
1827
Sequence:
MADERKDEAKAPHWTSAPLTEASAHSHPPEIKDQGGAGEGLVRSANGFPYREDEEGAFGEHGSQGTYSNTKENGINGELTSADRETAEEVSARIVQVVTAEAVAVLKGEQEKEAQHKDQTAALPLAAEETANLPPSPPPSPASEQTVTVEEDLLTASKMEFHDQQELTPSTAEPSDQKEKESEKQSKPGEDLKHAALVSQPETTKTYPDKKDMQGTEEEKAPLALFGHTLVASLEDMKQKTEPSLVVPGIDLPKEPPTPKEQKDWFIEMPTEAKKDEWGLVAPISPGPLTPMREKDVFDDIPKWEGKQFDSPMPSPFQGGSFTLPLDVMKNEIVTETSPFAPAFLQPDDKKSLQQTSGPATAKDSFKIEEPHEAKPDKMAEAPPSEAMTLPKDAHIPVVEEHVMGKVLEEEKEAINQETVQQRDTFTPSGQEPILTEKETELKLEEKTTISDKEAVPKESKPPKPADEEIGIIQTSTEHTFSEQKDQEPTTDMLKQDSFPVSLEQAVTDSAMTSKTLEKAMTEPSALIEKSSIQELFEMRVDDKDKIEGVGAATSAELDMPFYEDKSGMSKYFETSALKEEATKSIEPGSDYYELSDTRESVHESIDTMSPMHKNGDKEFQTGKESQPSPPAQEAGYSTLAQSYPSDLPEEPSSPQERMFTIDPKVYGEKRDLHSKNKDDLTLSRSLGLGGRSAIEQRSMSINLPMSCLDSIALGFNFGRGHDLSPLASDILTNTSGSMDEGDDYLPATTPALEKAPCFPVESKEEEQIEKVKATGEESTQAEISCESPFLAKDFYKNGTVMAPDLPEMLDLAGTRSRLASVSADAEVARRKSVPSETVVEDSRTGLPPVTDENHVIVKTDSQLEDLGYCVFNKYTVPLPSPVQDSENLSGESGTFYEGTDDKVRRDLATDLSLIEVKLAAAGRVKDEFSVDKEASAHISGDKSGLSKEFDQEKKANDRLDTVLEKSEEHADSKEHAKKTEEAGDEIETFGLGVTYEQALAKDLSIPTDASSEKAEKGLSSVPEIAEVEPSKKVEQGLDFAVQGQLDVKISDFGQMASGLNIDDRRATELKLEATQDMTPSSKAPQEADAFMGVESGHMKEGTKVSETEVKEKVAKPDLVHQEAVDKEESYESSGEHESLTMESLKADEGKKETSPESSLIQDEIAVKLSVEIPCPPAVSEADLATDERADVQMEFIQGPKEESKETPDISITPSDVAEPLHETIVSEPAEIQSEEEEIEAQGEYDKLLFRSDTLQITDLGVSGAREEFVETCPSEHKGVIESVVTIEDDFITVVQTTTDEGESGSHSVRFAALEQPEVERRPSPHDEEEFEVEEAAEAQAEPKDGSPEAPASPEREEVALSEYKTETYDDYKDETTIDDSIMDADSLWVDTQDDDRSIMTEQLETIPKEEKAEKEARRSSLEKHRKEKPFKTGRGRISTPERKVAKKEPSTVSRDEVRRKKAVYKKAELAKKTEVQAHSPSRKFILKPAIKYTRPTHLSCVKRKTTAAGGESALAPSVFKQAKDKVSDGVTKSPEKRSSLPRPSSILPPRRGVSGDRDENSFSLNSSISSSARRTTRSEPIRRAGKSGTSTPTTPGSTAITPGTPPSYSSRTPGTPGTPSYPRTPHTPGTPKSAILVPSEKKVAIIRTPPKSPATPKQLRLINQPLPDLKNVKSKIGSTDNIKYQPKGGQVQIVTKKIDLSHVTSKCGSLKNIRHRPGGGRVKIESVKLDFKEKAQAKVGSLDNAHHVPGGGNVKIDSQKLNFREHAKARVDHGAEIITQSPGRSSVASPRRLSNVSSSGSINLLESPQLATLAEDVTAALAKQGL
  
Inhibitor
Name:
BDBM50547190
Synonyms:
CHEMBL4762949
Type:
Small organic molecule
Emp. Form.:
C22H24ClFN4O2
Mol. Mass.:
430.903
SMILES:
CC(C)Oc1cc(ccc1-c1c([nH]c2cc(F)c(Cl)cc12)C(N)=O)N1CCNCC1 |(7.01,-9.22,;7.03,-10.76,;5.7,-11.54,;8.37,-11.52,;9.69,-10.73,;9.67,-9.19,;11,-8.4,;12.35,-9.16,;12.36,-10.7,;11.02,-11.49,;11.04,-13.03,;11.95,-14.28,;11.04,-15.54,;9.56,-15.06,;8.23,-15.83,;6.9,-15.06,;5.56,-15.83,;6.9,-13.52,;5.57,-12.75,;8.23,-12.75,;9.56,-13.51,;13.49,-14.28,;14.26,-12.95,;14.26,-15.62,;10.99,-6.86,;12.32,-6.07,;12.31,-4.54,;10.97,-3.78,;9.64,-4.56,;9.65,-6.11,)|
Structure:
Search PDB for entries with ligand similarity: