Ki Summary

Reaction Details

Report a problem with these data

Target

Myosin light chain kinase, smooth muscle

Ligand

BDBM50074656

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_140967 (CHEMBL745132)

IC50

1040±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

BDBM50074656

n/a

Name

BDBM50074656

Synonyms:

CHEMBL411670 | R-K-K-(Ach)-K-Y-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)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)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:61.68,43.49,20.27,5.5,79.81,wD:31.40,70.77,9.16,(30.71,-1.45,;30.71,-2.99,;29.38,-3.76,;29.38,-5.3,;28.05,-6.07,;28.05,-7.59,;26.72,-8.38,;25.39,-7.59,;25.39,-6.07,;24.06,-8.38,;24.06,-9.92,;25.39,-10.69,;25.39,-12.23,;26.72,-13,;26.72,-14.54,;28.05,-15.31,;25.39,-15.31,;22.71,-7.59,;21.38,-8.38,;21.38,-9.92,;20.05,-7.59,;20.05,-6.07,;21.38,-5.3,;21.38,-3.76,;22.71,-2.99,;22.71,-1.45,;21.38,-.68,;24.06,-.68,;18.72,-8.38,;17.38,-7.59,;17.38,-6.07,;16.05,-8.38,;16.05,-9.92,;17.13,-11,;18.6,-10.6,;19.7,-11.67,;19.3,-13.18,;20.39,-14.26,;17.81,-13.56,;16.73,-12.48,;14.71,-7.59,;13.38,-8.38,;13.38,-9.92,;12.05,-7.59,;12.05,-6.07,;13.38,-5.3,;13.38,-3.76,;14.71,-2.99,;14.71,-1.45,;10.72,-8.38,;9.39,-7.59,;9.39,-6.07,;7.89,-8.01,;7.12,-6.68,;5.58,-6.68,;4.83,-8.03,;5.61,-9.36,;7.15,-9.34,;3.5,-7.26,;2.15,-8.03,;2.15,-9.57,;.82,-7.26,;.82,-5.72,;2.15,-4.95,;2.15,-3.41,;3.5,-2.64,;3.5,-1.1,;-.51,-8.03,;-1.84,-7.26,;-1.84,-5.72,;-3.17,-8.03,;-3.17,-9.57,;-1.84,-10.34,;-1.84,-11.88,;-.51,-12.65,;-.51,-14.19,;-4.5,-7.26,;-5.85,-8.03,;-5.85,-9.57,;-7.18,-7.26,;-8.51,-8.03,;-7.18,-5.72,;-5.85,-4.95,;-5.85,-3.41,;-4.5,-2.64,;-4.5,-1.1,;-5.85,-.33,;-3.17,-.33,;29.38,-8.38,;30.71,-7.59,;29.38,-9.92,)|

Structure