Ki Summary

Reaction Details

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Target

Myosin light chain kinase, smooth muscle

Ligand

BDBM50074648

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_140967 (CHEMBL745132)

IC50

110±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

BDBM50074648

n/a

Name

BDBM50074648

Synonyms:

CHEMBL268790 | R-K-K-Y-(Ach)-(Ach)-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)C1CCC(CC1)NC(=O)C1CCC(CC1)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:61.69,20.27,5.5,79.82,wD:70.78,49.60,9.16,(33.23,-1.96,;33.23,-3.49,;31.89,-4.25,;31.89,-5.77,;30.55,-6.54,;30.55,-8.06,;29.19,-8.82,;27.85,-8.06,;27.85,-6.54,;26.49,-8.82,;26.49,-10.35,;27.85,-11.1,;27.85,-12.63,;29.19,-13.4,;29.19,-14.93,;30.55,-15.68,;27.85,-15.68,;25.15,-8.06,;23.79,-8.82,;23.79,-10.35,;22.46,-8.06,;22.46,-6.54,;23.79,-5.77,;23.79,-4.25,;25.15,-3.49,;25.15,-1.96,;23.79,-1.19,;26.49,-1.19,;21.1,-8.82,;19.74,-8.06,;19.74,-6.54,;18.24,-8.46,;17.42,-9.74,;15.87,-9.67,;15.14,-8.31,;15.99,-7.03,;17.54,-7.1,;13.81,-7.56,;12.46,-8.31,;12.46,-9.84,;11.12,-7.56,;10.28,-8.85,;8.73,-8.77,;8,-7.43,;8.84,-6.13,;10.4,-6.21,;6.67,-8.19,;5.31,-7.43,;5.31,-5.91,;3.97,-8.19,;3.97,-9.72,;5.31,-10.49,;6.67,-9.72,;8,-10.47,;8,-12.01,;9.36,-12.77,;6.66,-12.77,;5.31,-12.01,;2.62,-7.43,;1.26,-8.19,;1.26,-9.72,;-.09,-7.43,;-.09,-5.91,;1.26,-5.14,;1.26,-3.62,;2.62,-2.86,;2.62,-1.34,;-1.43,-8.19,;-2.78,-7.43,;-2.78,-5.91,;-4.13,-8.19,;-4.13,-9.72,;-2.78,-10.49,;-2.78,-12.01,;-1.43,-12.77,;-1.43,-14.3,;-5.47,-7.43,;-6.85,-8.19,;-6.85,-9.72,;-8.18,-7.43,;-9.53,-8.19,;-8.18,-5.91,;-6.85,-5.14,;-6.85,-3.62,;-5.47,-2.86,;-5.47,-1.34,;-6.85,-.57,;-4.13,-.57,;31.89,-8.82,;33.23,-8.06,;31.89,-10.35,)|

Structure