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Target
Apoptotic protease-activating factor 1
Ligand
BDBM34699
Substrate
n/a
Meas. Tech.
Dose response confirmation of uHTS hits for Apaf-1 in a Fluorescent assay
IC50
73000±n/a nM
Citation
 PubChem, PC Dose response confirmation of uHTS hits for Apaf-1 in a Fluorescent assay PubChem Bioassay (2011)[AID] 
Target
Name:
Apoptotic protease-activating factor 1
Synonyms:
APAF1 | APAF_HUMAN | Apoptotic peptidase activating factor 1 | KIAA0413
Type:
Enzyme Catalytic Domain
Mol. Mass.:
141834.40
Organism:
Homo sapiens (Human)
Description:
O14727
Residue:
1248
Sequence:
MDAKARNCLLQHREALEKDIKTSYIMDHMISDGFLTISEEEKVRNEPTQQQRAAMLIKMILKKDNDSYVSFYNALLHEGYKDLAALLHDGIPVVSSSSGKDSVSGITSYVRTVLCEGGVPQRPVVFVTRKKLVNAIQQKLSKLKGEPGWVTIHGMAGCGKSVLAAEAVRDHSLLEGCFPGGVHWVSVGKQDKSGLLMKLQNLCTRLDQDESFSQRLPLNIEEAKDRLRILMLRKHPRSLLILDDVWDSWVLKAFDSQCQILLTTRDKSVTDSVMGPKYVVPVESSLGKEKGLEILSLFVNMKKADLPEQAHSIIKECKGSPLVVSLIGALLRDFPNRWEYYLKQLQNKQFKRIRKSSSYDYEALDEAMSISVEMLREDIKDYYTDLSILQKDVKVPTKVLCILWDMETEEVEDILQEFVNKSLLFCDRNGKSFRYYLHDLQVDFLTEKNCSQLQDLHKKIITQFQRYHQPHTLSPDQEDCMYWYNFLAYHMASAKMHKELCALMFSLDWIKAKTELVGPAHLIHEFVEYRHILDEKDCAVSENFQEFLSLNGHLLGRQPFPNIVQLGLCEPETSEVYQQAKLQAKQEVDNGMLYLEWINKKNITNLSRLVVRPHTDAVYHACFSEDGQRIASCGADKTLQVFKAETGEKLLEIKAHEDEVLCCAFSTDDRFIATCSVDKKVKIWNSMTGELVHTYDEHSEQVNCCHFTNSSHHLLLATGSSDCFLKLWDLNQKECRNTMFGHTNSVNHCRFSPDDKLLASCSADGTLKLWDATSANERKSINVKQFFLNLEDPQEDMEVIVKCCSWSADGARIMVAAKNKIFLFDIHTSGLLGEIHTGHHSTIQYCDFSPQNHLAVVALSQYCVELWNTDSRSKVADCRGHLSWVHGVMFSPDGSSFLTSSDDQTIRLWETKKVCKNSAVMLKQEVDVVFQENEVMVLAVDHIRRLQLINGRTGQIDYLTEAQVSCCCLSPHLQYIAFGDENGAIEILELVNNRIFQSRFQHKKTVWHIQFTADEKTLISSSDDAEIQVWNWQLDKCIFLRGHQETVKDFRLLKNSRLLSWSFDGTVKVWNIITGNKEKDFVCHQGTVLSCDISHDATKFSSTSADKTAKIWSFDLLLPLHELRGHNGCVRCSAFSVDSTLLATGDDNGEIRIWNVSNGELLHLCAPLSEEGAATHGGWVTDLCFSPDGKMLISAGGYIKWWNVVTGESSQTFYTNGTNLKKIHVSPDFKTYVTVDNLGILYILQTLE
  
Inhibitor
Name:
BDBM34699
Synonyms:
3-(1-adamantyl)-5,6-bis(azanyl)-2-oxidanylidene-8-(3-oxidanylpiperidin-1-yl)-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile | 3-(1-adamantyl)-5,6-diamino-8-(3-hydroxy-1-piperidinyl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile | 3-(1-adamantyl)-5,6-diamino-8-(3-hydroxypiperidin-1-yl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile | 3-(1-adamantyl)-5,6-diamino-8-(3-hydroxypiperidino)-2-keto-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile | MLS000536166 | SMR000155469 | cid_3962922
Type:
Small organic molecule
Emp. Form.:
C26H31N7O2
Mol. Mass.:
473.57
SMILES:
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)N1C(=O)Cc2c1nc(N)c1c(N)nc(N3CCCC(O)C3)c(C#N)c21 |TLB:5:3:11:6.9.8,THB:2:3:9:1.11.8,2:1:9:3.12.5|
Structure:
Search PDB for entries with ligand similarity: