Target
Adhesin Ata autotransporter
Ligand
BDBM281045
Substrate
n/a
Meas. Tech.
Antimicrobial Susceptibility Testing Assay
IC50
900±n/a nM
Citation
 Alanine, ABeignet, JBleicher, KFasching, BHilpert, HHu, TMacDonald, DJackson, SKolczewski, SKroll, CSchaeublin, AShen, HStoll, TThomas, HWahhab, AZampaloni, C Peptide macrocycles against acinetobacter baumannii US Patent  US10030047 Publication Date 7/24/2018 
Target
Name:
Adhesin Ata autotransporter
Synonyms:
ATA_ACIBT | Acinetobacter trimeric autotransporter | ata | ata:
Type:
Enzyme Catalytic Domain
Mol. Mass.:
189662.81
Organism:
Acinetobacter baumannii (strain ATCC 17978 / CIP 53.77 / LMG 1025 / NCDC KC755 / 5377)
Description:
A3M3H0
Residue:
1873
Sequence:
MNKVYKVIWNASIGAWVATSEIAKSKTKTKSKTLNLSAAVLSGVICFAPNAFAGTNTEGGIGQGTSISGTTSCREGSANTANQKDIAIGCGAQTQDRTGSNIANRNNPYNNSTGAYAGAMKQGGAISVGTGAVVEKGLGTAIGSYATTQGISGVAIGTGALSSGNTALAVGRQSAATADFSQAIGNVAAATGKGSLAIGHSATAEGYRSIAIGSPDIENADPVAGQAGAAYQPKMATKATGKDSIAFGGGAVATEENALAIGAFSESKGKKSVAIGTGAKAQKDNAVVIGDQAEASFEGGVAIGKGARSEAENSIALGKDSKASQATGESFLTKQSAPTGVLSIGDIGTERRIQNVADGAADSDAATVRQLKAARTHYVSINDNGQPGGNFENDGATGRNAIAVGVNASAAGREAMAIGGNAQAIGSGAIAMGSSSQTVGRGDVAIGRNASTQGAEGVNSNQSVAIGDQTKAIGDQSVAIGADVIAKGNSSVAIGGDDVDKIARDTELSNTYTEITGGTLQAGKYPTTEANHGSTAVGVQAVGTGAFSSAFGMTSKATGDASSAFGVMSNASGKGAAAFGAVAQATGDGASAMGINSLASGTNSTAIGSGNKPGEGANATGNSSAAIGSGAQATGDNSAAIGKGAEATNENAAAVGGGAKATGKNAAAIGGGAIADQENAVAVGQGAQSLVEGGVALGARSKVEAKNSVALGQDAVATEATGTSFLTNRDASQSNGVISVGSAGKERRITNVEDGSADSDAVTVRQLKNVDSRVNQNTSNIGKNTQNITNLNQKLDDTKTNLGNQIADTNKNLNDAKKDLGNQITDTNTKLNTTKDQLTTQINDTNTELNNTIGNTKTELNTKIDNTKTELENKGLNFAGNSGADVHRKLGDKLNIVGGAAASTPAAKTSGENVITRTTQDGIQIELLKDSKFDSVTTGNTTLNTNGLTIKEGPSITKQGINAGSKQISNVADGINAKDAVNVDQLTKVKDNLNGRITDTNNQLNDAKKDLGNQIADTNKNLNDAKKDLGNQITDTNTKLNNTKDQLTTQINDTKTELNNTIGNTKTELNSKIDSTKTELENKGLNFAGNSGADVHRKLGEKLNIIGGAAASTPAAKTSGENVITRTTKDGIQIELLKDSKFDSVTTGNTTLNTNGLTIKEGPSITKDGINASGKQITNVADGVNAKDAVNKGQLDNLAAKQNATDDAAVKYDDAKTKDKVTLKGKDGTVLDNVKAGHISSTSKEAVNGSQIHNISNSIKNSIGGNTVVNPDGSLTTNNIGGTGKNNINDAISEVKNTATKAKTTVTEGDNIVVKETVNKDGSTNYEVSTKKDLTLNSVTTGDTVLNNNGLTIKDGPSITKDGVNAGGKKITDVANGVIAQNSKDAVNGAQVHHISNSIKNSIGGNTVVNPDGSLTTNNIGGTGKNNINDAIKSVDEKVTNGVNDLTQKGLNFGANDQKTTQGKAVHRKLGDTINIVGGADAKTAEDKTSGENIITRTTEDGVKIEMLKDVKFDSVNVGGHVLNQQGLIIKGGPSITVNGINAGGKQITNVADGINAKDAVNKGQLDKQINEVKDQIGKDIGKLSDHAVQYDKDKNGNVDKSSVTLGGGEKGTNLKNVADGKVAEGSKDAVNGGQLWNVQNQVDKNSNDIKNIQNNIDNISNGKAGLVQQQKPNGEITVGRDTGGTSINMAGKEGDRVVQGVKDGEIKAGSNQAVNGGQIHKISESIKNSIGGNTTIDPKDGSITTNNIGGTGKNNINDAIGTLNQSNQELGNKITNLGDQLQQVFYDTNKRIDDVEKKANAGIAAAMALENAPFVAGKYTYAVGAAYHGGENAVGVTLRKTSDNGRWSITGGVAAASQGEPSVRVGISGVIN
  
Inhibitor
Name:
BDBM281045
Synonyms:
(7S,10S,13S)-13-((1H-Indol-3-yl)methyl)-10-(4-aminobutyl)-7-(3-aminopropyl)-3-fluoro-12-methyl-6,7,9,10,12,13,15,16-octahydrobenzo[b]pyrido[3,2-p][1,5,8,11,14]thiatetraazacycloheptadecine-8,11,14(5H)-trione | US10030047, Example 226
Type:
Small organic molecule
Emp. Form.:
C36H45FN8O3S
Mol. Mass.:
688.858
SMILES:
CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2ccccc2Sc2ncc(F)cc2CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O |r|
Structure:
Search PDB for entries with ligand similarity: