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Target
Microtubule-associated protein 2
Ligand
BDBM50547191
Substrate
n/a
Meas. Tech.
ChEMBL_2017292 (CHEMBL4670870)
IC50
2.0±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:
BDBM50547191
Synonyms:
CHEMBL4746468
Type:
Small organic molecule
Emp. Form.:
C22H24F2N4O2
Mol. Mass.:
414.4484
SMILES:
CC(C)Oc1cc(ccc1-c1c([nH]c2cc(F)c(F)cc12)C(N)=O)N1CCNCC1 |(22.35,-9.28,;22.36,-10.82,;21.04,-11.61,;23.7,-11.58,;25.03,-10.8,;25.01,-9.26,;26.34,-8.47,;27.68,-9.23,;27.7,-10.77,;26.36,-11.55,;26.37,-13.09,;27.28,-14.35,;26.37,-15.6,;24.9,-15.12,;23.57,-15.89,;22.23,-15.12,;20.9,-15.89,;22.24,-13.58,;20.9,-12.81,;23.56,-12.81,;24.9,-13.57,;28.82,-14.35,;29.59,-13.01,;29.59,-15.68,;26.32,-6.93,;27.66,-6.14,;27.64,-4.6,;26.31,-3.84,;24.98,-4.62,;24.99,-6.17,)|
Structure:
Search PDB for entries with ligand similarity: