Ki Summary

Reaction Details

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Target

Myosin light chain kinase, smooth muscle

Ligand

BDBM50074646

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_140967 (CHEMBL745132)

IC50

270±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

BDBM50074646

n/a

Name

BDBM50074646

Synonyms:

CHEMBL415435 | R-K-K-Y-K-(Ach)-R-R-K-NH2

Type

Small organic molecule

Emp. Form.

C58H107N23O10

Mol. Mass.

1286.6183

SMILES

NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C1CCC(CC1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(N)=N)C(N)=O |wU:61.68,20.27,40.46,5.5,79.81,wD:49.59,70.77,9.16,(31.03,-1.52,;31.03,-3.06,;29.7,-3.83,;29.7,-5.37,;28.37,-6.14,;28.37,-7.68,;27.04,-8.45,;25.7,-7.68,;25.7,-6.14,;24.37,-8.45,;24.37,-9.99,;25.7,-10.76,;25.7,-12.3,;27.04,-13.07,;27.04,-14.61,;28.37,-15.38,;25.7,-15.38,;23.03,-7.68,;21.7,-8.45,;21.7,-9.99,;20.37,-7.68,;20.37,-6.14,;21.7,-5.37,;21.7,-3.83,;23.03,-3.06,;23.03,-1.52,;21.7,-.75,;24.37,-.75,;19.04,-8.45,;17.71,-7.68,;17.71,-6.14,;16.22,-8.08,;15.4,-9.39,;13.86,-9.32,;13.16,-7.96,;13.98,-6.66,;15.52,-6.73,;11.83,-7.19,;10.48,-7.96,;10.48,-9.5,;9.15,-7.19,;9.15,-5.65,;10.48,-4.88,;10.48,-3.34,;11.83,-2.57,;11.83,-1.03,;7.82,-7.96,;6.49,-7.19,;6.49,-5.65,;5.16,-7.96,;5.16,-9.5,;6.49,-10.27,;6.49,-11.81,;7.82,-12.58,;9.15,-11.81,;10.48,-12.58,;9.15,-10.25,;7.82,-9.5,;3.83,-7.19,;2.48,-7.96,;2.48,-9.5,;1.15,-7.19,;1.15,-5.65,;2.48,-4.88,;2.48,-3.34,;3.83,-2.57,;3.83,-1.03,;-.19,-7.96,;-1.52,-7.19,;-1.52,-5.65,;-2.85,-7.96,;-2.85,-9.5,;-1.52,-10.27,;-1.52,-11.81,;-.19,-12.58,;-.19,-14.12,;-4.18,-7.19,;-5.52,-7.96,;-5.52,-9.5,;-6.85,-7.19,;-8.21,-7.96,;-6.85,-5.65,;-5.52,-4.88,;-5.52,-3.34,;-4.18,-2.57,;-4.18,-1.03,;-5.52,-.26,;-2.85,-.26,;29.7,-8.45,;31.03,-7.68,;29.7,-9.99,)|

Structure