Reaction Details Report a problem with these data
Target
Serine/threonine-protein kinase ATR
Ligand
BDBM535719
Substrate
n/a
Meas. Tech.
In Vitro Enzyme Assay
IC50
<3.00±n/a nM
Citation
 Li, X Substituted pyrrolopyridines as ATR inhibitors US Patent  US11236089 Publication Date 2/1/2022 
Target
Name:
Serine/threonine-protein kinase ATR
Synonyms:
ATR | G1SGC5_RABIT
Type:
Protein
Mol. Mass.:
300974.35
Organism:
Rabbit
Description:
G1SGC5
Residue:
2643
Sequence:
MGEHGLELASMIPALRELGSATPEEYNTVVQKPRQILCQFIDRILTDVNVVAVELIKKTDSQPTSVMLLDFIQHIMKSSPLMFVNVNGSHGQNEAKGNCIEFSNWIITRLLRIAATPSCHMLHKKICEVICSLLFLFKSKSPAIFGVLTKELLDLFEDLICLHRKHATGHVVEWPVVVSHFLSQLDEHMGYLQPAPLQFMSMQNLEFIEATLLMVLIRIVAIVFFRRQELLLWHIGCVLLECGSPKIKSLAITLLTELFELGGLPAQPASTFFSSFLELLKHLVEMDADQLKLYEKPLSKLIKTLFPFDAEAYRNIEPVYLNMLLEKLCVMFEDGVLMRLKSDLLKAALCHLLQYFLKFVPAGYETALQVRKVYVRNICRALVDVLGVQVDAGYLLGPLYAALKMETMEILEEIPCQTPQESLSNDSDGISPKRRRLSSSLNSSKRTSKVAEEIKHVDMNKKSILWSALKQKAEFLQISLEYNNLKNPVIETLEGITVVLQLTALCTVHCSQQNMDCQNFTDCQHKCKKKPSVVITWMSLDFFTKVLKSCRSLLESVQKPDLEAVIDNVVKIYDALVYMQVKSPFEDHILEDLCGMLSLPWIYPHSDDGSLKLTTFATNLLALSERISDSYSPQAQSRCVFLLTLFPRRIFLEWRTAVHNWALQSCHEVIRASCISGFFILLQQQNSCNRVPKILIDKVKDDSDIVKREFASVLGQLVCSLHGMFHLTSSLTEPFSEHGHMDLFCKNLKATSPHECSSSQLKASVCKPFLFLLKKKIPSPVKLAFIDNLQHLCKHLDFKEDETEVKAVLGTLLNLMEDPDKDVRVAFSGNIKYILECLNSEDGFIKELFVLRMKEAYTHAQISRNNELKDTLILTTGDIGRAAKGDLVPFALLHLLHCLLSKSSSVSGAAYTEIRALVAAKSVKLQNFFSQYKKPICQFLVESLHSSQMTALPNTPCQNVEMRKQDVAHQREMALNTLSEVANVFDFPDLNRFLTRTLQVLLPDLAAKASPAASAIIRTLGKQLNVNRREILINNFKYIFSHLVCSCSKDELERALHYLKNETEIELGSLLRQDFQGLHNELLLRIGEHYQQVFNGLSILASFASSDDPYQGPRDITSPELMADYLQPKLLGILAFFNMQLLSSSVGIEDKKMALNSLMSLMKLMGPKHVSSVRVKMMTTLRTGLRFKDDFPELCCRAWDCFVHCLDHAYLGPLLSHVIVALLPLIHIQPKETAAIFHYLIIENDAVQDFLHEIYFLPDHPELKKIKAVLQEYRKETSESTDLQTTLQLSMKAVQHENVDVRIHALTSLKETLYKNQEKLIKYATDSETVEPVISQLVTVLLKGCQDANSQARLLCGECLGELGAIDPGRLDFSTTETQGKDFTFVTNVEDPNFAYGLLMELTRAYLAYADNSRAQDSAAYAIQELLAIYDCREMQTDGPGHQLWRRFPEHVREILEPHLNTRYKSSQKSTDWSGVKKPIYLSKLGNNFAEWSASWAGYLITKVRDDLASKIFTCCSIMMKHDFKVTIYLLPHILVYVLLGCNEEDQQEVYAEIMAVLKHDDQQTISTQDSASDLCQLSTQTVFSMLDHLAQWARHKFQVMNADKCSQGKSDSDNVESMGIPVGYEDYRSVTRFLDLIPQDTLAVASFRSKAYTRAVMHFESFITEKKQNIQEHLGFLQKLYAAMDEPDGVAGVSAIRKAEPSLKEQILEHESLGLLRDATACYDRAIQLEPDQIVHYHGVVKSMLGLGQLSTVITQVNGVHANRSEWTDELNTYRVEAAWKLSQWDLVENYLAEDGKSTSWSVRLGQLLLSAKKKDITTFYDTLKLVRAEQIVPLSAASFERGSYQRGYEFIVRLHMLCELEHSTKPLFHQSPEDSSQEDSLNWVARLEMTQNSYRAKEPILALRRALLSLNKRPDYDEMVGECWLQSARVARKAGHHQTAYNALLNAGESRLAELYVERAKWLWSKGDVHQALIVLQKGVELCFPENKTPAESKDVLIHGRATLLVGRFMEETANFESNAIMKKYKDVTMILPEWEDAHFYLAKYYDKLMPMVTDNKMEKQGDLIRYIVLHFGKSLQYGNQFIYQSMPRMLTLWLDYGAKAYEWEKAGRSDRVQMRNDLSKINSVITEHTDYLAPYQFLTAFSQLISRICHSHDEVFVVLMEIIAKVFLAYPQQAMWMMTAVSKSSYPMRVNRCKEILNKAILMKKSLEKFVGDATRLTDKLLELCNKPVDGNNSTLSMSTHFKMIKKLVQEATFSEILIPLQSVMIPTLPSVLGAHANHEPFPGHWAYISGFDDMVEVLPSLQKPKKISLKGSDGKFYIMMCKPKDDLRKDCRLMEFNSLINKCLRKDAESRRRELHIRTYAVIPLNDECGIIEWVNNTAGLRPILTKLYKERGMYMTGKELRQCMLPKAAALSEKLKIFQEFLLPRHPPVFHEWFLRTFPDPTSWYSSRSAYCRSTAVMSMVGYILGLGDRHGENILFDSLTGECVHVDFNCLFNKGETFEVPEIVPFRLTHNMVYGMGPMGTEGLFRRACEVTLRLMRDQREPLMSVLKTFLHDPLVEWSKPVKGHSKASLNETGEVLNEKAKTHVLDIEQRLQGVIKTRNRVTGLPLSIEGHVHYLIQEATDANLLCQMYLGWTPYM
  
Inhibitor
Name:
BDBM535719
Synonyms:
US11236089, Compound CY-237
Type:
Small organic molecule
Emp. Form.:
C20H22N6O
Mol. Mass.:
362.4283
SMILES:
C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C(C)(C)C#N
Structure:
Search PDB for entries with ligand similarity: