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TargetHistone-lysine N-methyltransferase 2A
LigandBDBM50481598
Substrate/Competitorn/a
Meas. Tech.ChEMBL_2271279
Kd 8300±n/a nM
Citation Qiu, Y; Li, X; He, X; Pu, J; Zhang, J; Lu, S Computational methods-guided design of modulators targeting protein-protein interactions (PPIs). Eur J Med Chem207:0 (2020) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Histone-lysine N-methyltransferase 2A
Name:Histone-lysine N-methyltransferase 2A
Synonyms:ALL-1 | ALL1 | ALL1 | C-terminal cleavage product of 180 kDa | CXXC-type zinc finger protein 7 | CXXC7 | HRX | HTRX | Histone-lysine N-methyltransferase 2A | KMT2A | KMT2A_HUMAN | Lysine N-methyltransferase 2A | MLL | MLL cleavage product C180 | MLL cleavage product N320 | MLL1 | Myeloid/lymphoid or mixed-lineage leukemia | Myeloid/lymphoid or mixed-lineage leukemia (MLL) | Myeloid/lymphoid or mixed-lineage leukemia protein 1 | N-terminal cleavage product of 320 kDa | TRX1 | Trithorax-like protein | Zinc finger protein HRX | p180 | p320
Type:Protein
Mol. Mass.:431905.67
Organism:Homo sapiens (Human)
Description:Q03164
Residue:3969
Sequence:
MAHSCRWRFPARPGTTGGGGGGGRRGLGGAPRQRVPALLLPPGPPVGGGGPGAPPSPPAV
AAAAAAAGSSGAGVPGGAAAASAASSSSASSSSSSSSSASSGPALLRVGPGFDAALQVSA
AIGTNLRRFRAVFGESGGGGGSGEDEQFLGFGSDEEVRVRSPTRSPSVKTSPRKPRGRPR
SGSDRNSAILSDPSVFSPLNKSETKSGDKIKKKDSKSIEKKRGRPPTFPGVKIKITHGKD
ISELPKGNKEDSLKKIKRTPSATFQQATKIKKLRAGKLSPLKSKFKTGKLQIGRKGVQIV
RRRGRPPSTERIKTPSGLLINSELEKPQKVRKDKEGTPPLTKEDKTVVRQSPRRIKPVRI
IPSSKRTDATIAKQLLQRAKKGAQKKIEKEAAQLQGRKVKTQVKNIRQFIMPVVSAISSR
IIKTPRRFIEDEDYDPPIKIARLESTPNSRFSAPSCGSSEKSSAASQHSSQMSSDSSRSS
SPSVDTSTDSQASEEIQVLPEERSDTPEVHPPLPISQSPENESNDRRSRRYSVSERSFGS
RTTKKLSTLQSAPQQQTSSSPPPPLLTPPPPLQPASSISDHTPWLMPPTIPLASPFLPAS
TAPMQGKRKSILREPTFRWTSLKHSRSEPQYFSSAKYAKEGLIRKPIFDNFRPPPLTPED
VGFASGFSASGTAASARLFSPLHSGTRFDMHKRSPLLRAPRFTPSEAHSRIFESVTLPSN
RTSAGTSSSGVSNRKRKRKVFSPIRSEPRSPSHSMRTRSGRLSSSELSPLTPPSSVSSSL
SISVSPLATSALNPTFTFPSHSLTQSGESAEKNQRPRKQTSAPAEPFSSSSPTPLFPWFT
PGSQTERGRNKDKAPEELSKDRDADKSVEKDKSRERDREREKENKRESRKEKRKKGSEIQ
SSSALYPVGRVSKEKVVGEDVATSSSAKKATGRKKSSSHDSGTDITSVTLGDTTAVKTKI
LIKKGRGNLEKTNLDLGPTAPSLEKEKTLCLSTPSSSTVKHSTSSIGSMLAQADKLPMTD
KRVASLLKKAKAQLCKIEKSKSLKQTDQPKAQGQESDSSETSVRGPRIKHVCRRAAVALG
RKRAVFPDDMPTLSALPWEEREKILSSMGNDDKSSIAGSEDAEPLAPPIKPIKPVTRNKA
PQEPPVKKGRRSRRCGQCPGCQVPEDCGVCTNCLDKPKFGGRNIKKQCCKMRKCQNLQWM
PSKAYLQKQAKAVKKKEKKSKTSEKKDSKESSVVKNVVDSSQKPTPSAREDPAPKKSSSE
PPPRKPVEEKSEEGNVSAPGPESKQATTPASRKSSKQVSQPALVIPPQPPTTGPPRKEVP
KTTPSEPKKKQPPPPESGPEQSKQKKVAPRPSIPVKQKPKEKEKPPPVNKQENAGTLNIL
STLSNGNSSKQKIPADGVHRIRVDFKEDCEAENVWEMGGLGILTSVPITPRVVCFLCASS
GHVEFVYCQVCCEPFHKFCLEENERPLEDQLENWCCRRCKFCHVCGRQHQATKQLLECNK
CRNSYHPECLGPNYPTKPTKKKKVWICTKCVRCKSCGSTTPGKGWDAQWSHDFSLCHDCA
KLFAKGNFCPLCDKCYDDDDYESKMMQCGKCDRWVHSKCENLSDEMYEILSNLPESVAYT
CVNCTERHPAEWRLALEKELQISLKQVLTALLNSRTTSHLLRYRQAAKPPDLNPETEESI
PSRSSPEGPDPPVLTEVSKQDDQQPLDLEGVKRKMDQGNYTSVLEFSDDIVKIIQAAINS
DGGQPEIKKANSMVKSFFIRQMERVFPWFSVKKSRFWEPNKVSSNSGMLPNAVLPPSLDH
NYAQWQEREENSHTEQPPLMKKIIPAPKPKGPGEPDSPTPLHPPTPPILSTDRSREDSPE
LNPPPGIEDNRQCALCLTYGDDSANDAGRLLYIGQNEWTHVNCALWSAEVFEDDDGSLKN
VHMAVIRGKQLRCEFCQKPGATVGCCLTSCTSNYHFMCSRAKNCVFLDDKKVYCQRHRDL
IKGEVVPENGFEVFRRVFVDFEGISLRRKFLNGLEPENIHMMIGSMTIDCLGILNDLSDC
EDKLFPIGYQCSRVYWSTTDARKRCVYTCKIVECRPPVVEPDINSTVEHDENRTIAHSPT
SFTESSSKESQNTAEIISPPSPDRPPHSQTSGSCYYHVISKVPRIRTPSYSPTQRSPGCR
PLPSAGSPTPTTHEIVTVGDPLLSSGLRSIGSRRHSTSSLSPQRSKLRIMSPMRTGNTYS
RNNVSSVSTTGTATDLESSAKVVDHVLGPLNSSTSLGQNTSTSSNLQRTVVTVGNKNSHL
DGSSSSEMKQSSASDLVSKSSSLKGEKTKVLSSKSSEGSAHNVAYPGIPKLAPQVHNTTS
RELNVSKIGSFAEPSSVSFSSKEALSFPHLHLRGQRNDRDQHTDSTQSANSSPDEDTEVK
TLKLSGMSNRSSIINEHMGSSSRDRRQKGKKSCKETFKEKHSSKSFLEPGQVTTGEEGNL
KPEFMDEVLTPEYMGQRPCNNVSSDKIGDKGLSMPGVPKAPPMQVEGSAKELQAPRKRTV
KVTLTPLKMENESQSKNALKESSPASPLQIESTSPTEPISASENPGDGPVAQPSPNNTSC
QDSQSNNYQNLPVQDRNLMLPDGPKPQEDGSFKRRYPRRSARARSNMFFGLTPLYGVRSY
GEEDIPFYSSSTGKKRGKRSAEGQVDGADDLSTSDEDDLYYYNFTRTVISSGGEERLASH
NLFREEEQCDLPKISQLDGVDDGTESDTSVTATTRKSSQIPKRNGKENGTENLKIDRPED
AGEKEHVTKSSVGHKNEPKMDNCHSVSRVKTQGQDSLEAQLSSLESSRRVHTSTPSDKNL
LDTYNTELLKSDSDNNNSDDCGNILPSDIMDFVLKNTPSMQALGESPESSSSELLNLGEG
LGLDSNREKDMGLFEVFSQQLPTTEPVDSSVSSSISAEEQFELPLELPSDLSVLTTRSPT
VPSQNPSRLAVISDSGEKRVTITEKSVASSESDPALLSPGVDPTPEGHMTPDHFIQGHMD
ADHISSPPCGSVEQGHGNNQDLTRNSSTPGLQVPVSPTVPIQNQKYVPNSTDSPGPSQIS
NAAVQTTPPHLKPATEKLIVVNQNMQPLYVLQTLPNGVTQKIQLTSSVSSTPSVMETNTS
VLGPMGGGLTLTTGLNPSLPTSQSLFPSASKGLLPMSHHQHLHSFPAATQSSFPPNISNP
PSGLLIGVQPPPDPQLLVSESSQRTDLSTTVATPSSGLKKRPISRLQTRKNKKLAPSSTP
SNIAPSDVVSNMTLINFTPSQLPNHPSLLDLGSLNTSSHRTVPNIIKRSKSSIMYFEPAP
LLPQSVGGTAATAAGTSTISQDTSHLTSGSVSGLASSSSVLNVVSMQTTTTPTSSASVPG
HVTLTNPRLLGTPDIGSISNLLIKASQQSLGIQDQPVALPPSSGMFPQLGTSQTPSTAAI
TAASSICVLPSTQTTGITAASPSGEADEHYQLQHVNQLLASKTGIHSSQRDLDSASGPQV
SNFTQTVDAPNSMGLEQNKALSSAVQASPTSPGGSPSSPSSGQRSASPSVPGPTKPKPKT
KRFQLPLDKGNGKKHKVSHLRTSSSEAHIPDQETTSLTSGTGTPGAEAEQQDTASVEQSS
QKECGQPAGQVAVLPEVQVTQNPANEQESAEPKTVEEEESNFSSPLMLWLQQEQKRKESI
TEKKPKKGLVFEISSDDGFQICAESIEDAWKSLTDKVQEARSNARLKQLSFAGVNGLRML
GILHDAVVFLIEQLSGAKHCRNYKFRFHKPEEANEPPLNPHGSARAEVHLRKSAFDMFNF
LASKHRQPPEYNPNDEEEEEVQLKSARRATSMDLPMPMRFRHLKKTSKEAVGVYRSPIHG
RGLFCKRNIDAGEMVIEYAGNVIRSIQTDKREKYYDSKGIGCYMFRIDDSEVVDATMHGN
AARFINHSCEPNCYSRVINIDGQKHIVIFAMRKIYRGEELTYDYKFPIEDASNKLPCNCG
AKKCRKFLN
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  Blast E-value cutoff:
BDBM50481598
n/a
NameBDBM50481598
Synonyms:CHEMBL5272698
TypeSmall organic molecule
Emp. Form.C95H119N17O25S2
Mol. Mass.1963.19
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)CCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)N[C@@H](CSCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(N)=O |r,wU:2.2,120.125,135.143,112.118,95.101,77.82,56.60,8.8,wD:4.56,103.109,88.94,69.74,16.16,(-7.88,-5.98,;-7.88,-4.44,;-6.54,-3.67,;-5.21,-4.44,;-6.54,-2.13,;-7.88,-1.36,;-9.21,-2.13,;-9.21,-3.67,;-10.54,-1.36,;-10.54,.18,;-9.21,.95,;-7.88,.18,;-9.21,2.49,;-11.88,-2.13,;-13.21,-1.36,;-13.21,.18,;-14.55,-2.13,;-14.55,-3.67,;-13.21,-4.44,;-15.88,-1.36,;-17.21,-2.13,;-17.21,-3.67,;-18.55,-1.36,;-19.88,-2.13,;-21.22,-1.36,;-22.55,-2.13,;-22.55,-3.67,;-23.88,-1.36,;-23.88,.18,;-22.54,.95,;-22.55,2.49,;-23.88,3.26,;-25.22,2.48,;-25.22,.95,;-26.55,3.25,;-27.89,2.48,;-26.55,4.72,;-23.88,5.41,;-22.55,6.18,;-21.21,5.41,;-19.88,6.19,;-19.88,7.72,;-18.55,8.49,;-21.22,8.49,;-22.55,7.72,;-23.88,8.49,;-25.22,7.72,;-26.55,8.49,;-27.89,7.72,;-29.22,8.49,;-27.89,6.18,;-26.55,5.41,;-25.22,6.18,;-5.21,-1.36,;-5.21,.18,;-3.87,-2.13,;-2.54,-1.36,;-2.54,.18,;-1.21,.95,;-1.21,2.49,;.13,3.26,;.13,4.8,;1.46,5.57,;2.8,4.8,;2.8,3.26,;1.46,2.49,;-1.21,-2.13,;-1.21,-3.67,;.13,-1.36,;1.46,-2.13,;1.46,-3.67,;2.8,-4.44,;4.13,-3.67,;2.8,-5.98,;2.8,-1.36,;2.8,.18,;4.13,-2.13,;5.46,-1.36,;5.46,.18,;6.8,.95,;6.8,2.49,;8.13,3.26,;9.47,2.49,;9.47,.95,;8.13,.18,;6.8,-2.13,;6.8,-3.67,;8.13,-1.36,;9.42,-2.13,;9.42,-3.67,;10.75,-4.44,;8.13,-4.44,;10.75,-1.36,;10.75,.18,;12.08,-2.13,;13.42,-1.36,;13.42,.18,;14.75,.95,;14.75,2.49,;16.09,.18,;14.75,-2.13,;14.75,-3.67,;16.09,-1.36,;17.42,-2.13,;17.42,-3.67,;18.75,-4.44,;18.75,-5.98,;20.09,-6.75,;20.09,-8.29,;18.75,-1.36,;18.75,.18,;20.09,-2.13,;21.42,-1.36,;21.42,.18,;22.75,.95,;24.09,.18,;22.75,2.49,;22.75,-2.13,;22.75,-3.67,;24.09,-1.36,;25.42,-2.13,;26.76,-1.36,;26.76,.18,;25.42,.95,;25.42,2.49,;26.76,3.26,;26.76,4.8,;28.09,2.49,;28.09,.95,;25.42,-3.67,;24.09,-4.44,;26.76,-4.44,;28.19,-3.77,;29.22,-4.95,;28.5,-6.29,;26.91,-5.98,;25.78,-7,;26.14,-8.49,;24.29,-6.59,)|
Structure
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