Ki Summary

Reaction Details

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Target

Myosin light chain kinase, smooth muscle

Ligand

BDBM50074634

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_140967 (CHEMBL745132)

IC50

2970±n/a nM

Citation

Lukas, TJ; Mirzoeva, S; Slomczynska, U; Watterson, DM Identification of novel classes of protein kinase inhibitors using combinatorial peptide chemistry based on functional genomics knowledge. J Med Chem42:910-9 (1999) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Myosin light chain kinase, smooth muscle

Name:

Myosin light chain kinase, smooth muscle

Synonyms:

MLCK | MYLK_CHICK | Mylk | Myosin Light-Chain Kinase | Telokin

Type:

Enzyme

Mol. Mass.:

210423.57

Organism:

Gallus gallus (chicken)

Description:

n/a

Residue:

1906

Sequence:

MGDVKLVTSTRVSKTSLTLSPSVPAEAPAFTLPPRNIRVQLGATARFEGKVRGYPEPQIT
WYRNGHPLPEGDHYVVDHSIRGIFSLVIKGVQEGDSGKYTCEAANDGGVRQVTVELTVEG
NSLKKYSLPSSAKTPGGRLSVPPVEHRPSIWGESPPKFATKPNRVVVREGQTGRFSCKIT
GRPQPQVTWTKGDIHLQQNERFNMFEKTGIQYLEIQNVQLADAGIYTCTVVNSAGKASVS
AELTVQGPDKTDTHAQPLCMPPKPTTLATKAIENSDFKQATSNGIAKELKSTSTELMVET
KDRLSAKKETFYTSREAKDGKQGQNQEANAVPLQESRGTKGPQVLQKTSSTITLQAVKAQ
PEPKAEPQTTFIRQAEDRKRTVQPLMTTTTQENPSLTGQVSPRSRETENRAGVRKSVKEE
KREPLGIPPQFESRPQSLEASEGQEIKFKSKVSGKPKPDVEWFKEGVPIKTGEGIQIYEE
DGTHCLWLKKACLGDSGSYSCAAFNPRGQTSTSWLLTVKRPKVEEVAPCFSSVLKGCTVS
EGQDFVLQCYVGGVPVPEITWLLNEQPIQYAHSTFEAGVAKLTVQDALPEDDGIYTCLAE
NNAGRASCSAQVTVKEKKSSKKAEGTQAAKLNKTFAPIFLKGLTDLKVMDGSQVIMTVEV
SANPCPEIIWLHNGKEIQETEDFHFEKKGNEYSLYIQEVFPEDTGKYTCEAWNELGETQT
QATLTVQEPQDGIQPWFISKPRSVTAAAGQNVLISCAIAGDPFPTVHWFKDGQEITPGTG
CEILQNEDIFTLILRNVQSRHAGQYEIQLRNQVGECSCQVSLMLRESSASRAEMLRDGRE
SASSGERRDGGNYGALTFGRTSGFKKSSSETRAAEEEQEDVRGVLKRRVETREHTEESLR
QQEAEQLDFRDILGKKVSTKSFSEEDLKEIPAEQMDFRANLQRQVKPKTLSEEERKVHAP
QQVDFRSVLAKKGTPKTPLPEKVPPPKPAVTDFRSVLGAKKKPPAENGSASTPAPNARAG
SEAQNATPNSEAPAPKPVVKKEEKNDRKCEHGCAVVDGGIIGKKAENKPAASKPTPPPSK
GTAPSFTEKLQDAKVADGEKLVLQCRISSDPPASVSWTLDSKAIKSSKSIVISQEGTLCS
LTIEKVMPEDGGEYKCIAENAAGKAECACKVLVEDTSSTKAAKPAEKKTKKPKTTLPPVL
STESSEATVKKKPAPKTPPKAATPPQITQFPEDRKVRAGESVELFAKVVGTAPITCTWMK
FRKQIQENEYIKIENAENSSKLTISSTKQEHCGCYTLVVENKLGSRQAQVNLTVVDKPDP
PAGTPCASDIRSSSLTLSWYGSSYDGGSAVQSYTVEIWNSVDNKWTDLTTCRSTSFNVQD
LQADREYKFRVRAANVYGISEPSQESEVVKVGEKQEEELKEEEAELSDDEGKETEVNYRT
VTINTEQKVSDVYNIEERLGSGKFGQVFRLVEKKTGKVWAGKFFKAYSAKEKENIRDEIS
IMNCLHHPKLVQCVDAFEEKANIVMVLEMVSGGELFERIIDEDFELTERECIKYMRQISE
GVEYIHKQGIVHLDLKPENIMCVNKTGTSIKLIDFGLARRLESAGSLKVLFGTPEFVAPE
VINYEPIGYETDMWSIGVICYILVSGLSPFMGDNDNETLANVTSATWDFDDEAFDEISDD
AKDFISNLLKKDMKSRLNCTQCLQHPWLQKDTKNMEAKKLSKDRMKKYMARRKWQKTGHA
VRAIGRLSSMAMISGMSGRKASGSSPTSPINADKVENEDAFLEEVAEEKPHVKPYFTKTI
LDMEVVEGSAARFDCKIEGYPDPEVMWYKDDQPVKESRHFQIDYDEEGNCSLTISEVCGD
DDAKYTCKAVNSLGEATCTAELLVETMGKEGEGEGEGEEDEEEEEE

BDBM50074634

n/a

Name

BDBM50074634

Synonyms:

CHEMBL264267 | R-K-K-(Ach)-(Ach)-Y-R-R-K-NH2

Type

Small organic molecule

Emp. Form.

C59H106N22O10

Mol. Mass.

1283.6143

SMILES

NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C1CCC(CC1)NC(=O)C1CCC(CC1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(N)=N)C(N)=O |wU:31.40,61.69,9.16,79.82,wD:70.78,20.27,5.5,(31.94,-11.67,;31.94,-10.13,;30.61,-9.36,;30.61,-7.82,;29.27,-7.05,;29.27,-5.51,;27.94,-4.74,;26.61,-5.51,;26.61,-7.05,;25.28,-4.74,;25.28,-3.2,;26.61,-2.43,;26.61,-.89,;27.94,-.12,;27.94,1.42,;29.27,2.19,;26.61,2.19,;23.94,-5.51,;22.61,-4.74,;22.61,-3.2,;21.26,-5.51,;21.26,-7.05,;22.61,-7.82,;22.61,-9.36,;23.94,-10.13,;23.94,-11.67,;22.61,-12.44,;25.28,-12.44,;19.93,-4.74,;18.6,-5.51,;18.6,-7.05,;17.27,-4.74,;17.27,-3.2,;18.36,-2.1,;17.95,-.61,;19.02,.48,;20.52,.09,;21.61,1.19,;20.93,-1.38,;19.84,-2.48,;15.94,-5.51,;14.61,-4.74,;14.61,-3.2,;13.14,-5.14,;12.3,-6.44,;10.76,-6.37,;10.06,-5,;10.88,-3.69,;12.42,-3.78,;8.73,-4.23,;7.4,-5,;7.4,-6.54,;6.07,-4.23,;5.25,-5.53,;3.72,-5.47,;2.99,-4.11,;3.83,-2.8,;5.35,-2.88,;1.66,-4.88,;.33,-5.65,;.33,-7.19,;-1,-4.88,;-1,-3.34,;.33,-2.57,;.33,-1.03,;1.66,-.26,;1.66,1.28,;-2.33,-5.65,;-3.68,-4.88,;-3.68,-3.34,;-5.01,-5.65,;-5.01,-7.19,;-3.68,-7.94,;-3.68,-9.5,;-2.33,-10.27,;-2.33,-11.81,;-6.34,-4.88,;-7.67,-5.65,;-7.67,-7.19,;-9,-4.88,;-10.33,-5.65,;-9,-3.34,;-7.67,-2.57,;-7.67,-1.03,;-6.34,-.26,;-6.34,1.28,;-7.67,2.05,;-5.01,2.05,;30.61,-4.74,;31.94,-5.51,;30.61,-3.2,)|

Structure