Ki Summary

Reaction Details

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Target

Myosin light chain kinase, smooth muscle

Ligand

BDBM50074633

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_140967 (CHEMBL745132)

IC50

20000±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

BDBM50074633

n/a

Name

BDBM50074633

Synonyms:

CHEMBL407521 | R-K-K-(Ach)-(Ach)-(Ach)-R-R-K-NH2

Type

Small organic molecule

Emp. Form.

C57H108N22O9

Mol. Mass.

1245.6094

SMILES

NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C1CCC(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:58.66,20.27,5.5,76.79,wD:67.75,9.16,(35.84,1.31,;35.84,-.23,;34.51,-1,;34.51,-2.54,;33.16,-3.31,;33.16,-4.85,;31.83,-5.62,;30.5,-4.85,;30.5,-3.31,;29.17,-5.62,;29.17,-7.16,;30.5,-7.93,;30.5,-9.47,;31.83,-10.24,;31.83,-11.78,;33.16,-12.55,;30.5,-12.55,;27.84,-4.85,;26.51,-5.62,;26.51,-7.16,;25.16,-4.85,;25.16,-3.31,;26.51,-2.54,;26.51,-1,;27.84,-.23,;27.84,1.31,;26.51,2.08,;29.17,2.08,;23.83,-5.62,;22.5,-4.85,;22.5,-3.31,;21.17,-5.62,;20.4,-6.95,;18.88,-6.95,;18.11,-5.63,;18.88,-4.29,;20.42,-4.28,;16.76,-4.86,;15.43,-5.63,;15.43,-7.17,;14.1,-4.86,;13.32,-3.55,;11.78,-3.55,;11.04,-4.91,;11.83,-6.23,;13.35,-6.21,;9.71,-5.68,;8.38,-4.91,;8.38,-3.37,;6.89,-5.3,;6.11,-3.97,;4.56,-3.99,;3.81,-5.33,;4.6,-6.66,;6.14,-6.63,;2.48,-4.56,;1.15,-5.33,;1.15,-6.87,;-.18,-4.56,;-.18,-3.02,;1.15,-2.25,;1.15,-.71,;2.48,.06,;2.48,1.6,;-1.52,-5.33,;-2.85,-4.56,;-2.85,-3.02,;-4.19,-5.33,;-4.19,-6.87,;-2.85,-7.64,;-2.85,-9.18,;-1.52,-9.95,;-1.52,-11.49,;-5.52,-4.56,;-6.85,-5.33,;-6.85,-6.87,;-8.18,-4.56,;-9.51,-5.33,;-8.18,-3.02,;-6.85,-2.25,;-6.85,-.71,;-5.52,.06,;-5.52,1.6,;-6.85,2.37,;-4.19,2.37,;34.51,-5.62,;35.84,-4.85,;34.51,-7.16,)|

Structure