Target
Adhesin Ata autotransporter
Ligand
BDBM281025
Substrate
n/a
Meas. Tech.
Antimicrobial Susceptibility Testing Assay
IC50
600±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:
BDBM281025
Synonyms:
(12S,15S,18S)-15-(4-Amino-butyl)-18-(3-amino-propyl)-24-bromo-4-chloro-12-(1H-indol-3-ylmethyl)-13-methyl-2-thia-10,13,16,19-tetraaza-tricyclo[19.4.0.0*3,8*]pentacosa-1(25),3,5,7,21,23-hexaene-11,14,17-trione | US10030047, Example 219
Type:
Small organic molecule
Emp. Form.:
C37H45BrClN7O3S
Mol. Mass.:
783.22
SMILES:
CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2cccc(Cl)c2Sc2cc(Br)ccc2CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O |r|
Structure:
Search PDB for entries with ligand similarity: