Reaction Details |
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Target | Integrin alpha-V/beta-5 |
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Ligand | BDBM50120517 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_214771 (CHEMBL816229) |
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IC50 | 0.300000±n/a nM |
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Citation | Perron-Sierra, F; Saint Dizier, D; Bertrand, M; Genton, A; Tucker, GC; Casara, P Substituted benzocyloheptenes as potent and selective alpha(v) integrin antagonists. Bioorg Med Chem Lett12:3291-6 (2002) [PubMed] |
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More Info.: | Get all data from this article, Assay Method |
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Integrin alpha-V/beta-5 |
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Name: | Integrin alpha-V/beta-5 |
Synonyms: | ITGAV/ITGB5 | Integrin beta-5/Vitronectin receptor alpha |
Type: | Enzyme |
Mol. Mass.: | n/a |
Description: | n/a |
Components: | This complex has 2 components. |
Component 1 |
Name: | Integrin alpha-V |
Synonyms: | ITAV_HUMAN | ITGAV | Integrin alpha-V/alpha-5 | MSK8 | VNRA | VTNR | Vitronectin receptor | Vitronectin receptor subunit alpha |
Type: | PROTEIN |
Mol. Mass.: | 116024.92 |
Organism: | Homo sapiens (Human) |
Description: | ChEMBL_582336 |
Residue: | 1048 |
Sequence: | MAFPPRRRLRLGPRGLPLLLSGLLLPLCRAFNLDVDSPAEYSGPEGSYFGFAVDFFVPSA
SSRMFLLVGAPKANTTQPGIVEGGQVLKCDWSSTRRCQPIEFDATGNRDYAKDDPLEFKS
HQWFGASVRSKQDKILACAPLYHWRTEMKQEREPVGTCFLQDGTKTVEYAPCRSQDIDAD
GQGFCQGGFSIDFTKADRVLLGGPGSFYWQGQLISDQVAEIVSKYDPNVYSIKYNNQLAT
RTAQAIFDDSYLGYSVAVGDFNGDGIDDFVSGVPRAARTLGMVYIYDGKNMSSLYNFTGE
QMAAYFGFSVAATDINGDDYADVFIGAPLFMDRGSDGKLQEVGQVSVSLQRASGDFQTTK
LNGFEVFARFGSAIAPLGDLDQDGFNDIAIAAPYGGEDKKGIVYIFNGRSTGLNAVPSQI
LEGQWAARSMPPSFGYSMKGATDIDKNGYPDLIVGAFGVDRAILYRARPVITVNAGLEVY
PSILNQDNKTCSLPGTALKVSCFNVRFCLKADGKGVLPRKLNFQVELLLDKLKQKGAIRR
ALFLYSRSPSHSKNMTISRGGLMQCEELIAYLRDESEFRDKLTPITIFMEYRLDYRTAAD
TTGLQPILNQFTPANISRQAHILLDCGEDNVCKPKLEVSVDSDQKKIYIGDDNPLTLIVK
AQNQGEGAYEAELIVSIPLQADFIGVVRNNEALARLSCAFKTENQTRQVVCDLGNPMKAG
TQLLAGLRFSVHQQSEMDTSVKFDLQIQSSNLFDKVSPVVSHKVDLAVLAAVEIRGVSSP
DHVFLPIPNWEHKENPETEEDVGPVVQHIYELRNNGPSSFSKAMLHLQWPYKYNNNTLLY
ILHYDIDGPMNCTSDMEINPLRIKISSLQTTEKNDTVAGQGERDHLITKRDLALSEGDIH
TLGCGVAQCLKIVCQVGRLDRGKSAILYVKSLLWTETFMNKENQNHSYSLKSSASFNVIE
FPYKNLPIEDITNSTLVTTNVTWGIQPAPMPVPVWVIILAVLAGLLLLAVLVFVMYRMGF
FKRVRPPQEEQEREQLQPHENGEGNSET
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Component 2 |
Name: | Integrin beta-5 |
Synonyms: | ITB5_HUMAN | ITGB5 |
Type: | PROTEIN |
Mol. Mass.: | 88047.37 |
Organism: | Homo sapiens (Human) |
Description: | EBI_10915 |
Residue: | 799 |
Sequence: | MPRAPAPLYACLLGLCALLPRLAGLNICTSGSATSCEECLLIHPKCAWCSKEDFGSPRSI
TSRCDLRANLVKNGCGGEIESPASSFHVLRSLPLSSKGSGSAGWDVIQMTPQEIAVNLRP
GDKTTFQLQVRQVEDYPVDLYYLMDLSLSMKDDLDNIRSLGTKLAEEMRKLTSNFRLGFG
SFVDKDISPFSYTAPRYQTNPCIGYKLFPNCVPSFGFRHLLPLTDRVDSFNEEVRKQRVS
RNRDAPEGGFDAVLQAAVCKEKIGWRKDALHLLVFTTDDVPHIALDGKLGGLVQPHDGQC
HLNEANEYTASNQMDYPSLALLGEKLAENNINLIFAVTKNHYMLYKNFTALIPGTTVEIL
DGDSKNIIQLIINAYNSIRSKVELSVWDQPEDLNLFFTATCQDGVSYPGQRKCEGLKIGD
TASFEVSLEARSCPSRHTEHVFALRPVGFRDSLEVGVTYNCTCGCSVGLEPNSARCNGSG
TYVCGLCECSPGYLGTRCECQDGENQSVYQNLCREAEGKPLCSGRGDCSCNQCSCFESEF
GKIYGPFCECDNFSCARNKGVLCSGHGECHCGECKCHAGYIGDNCNCSTDISTCRGRDGQ
ICSERGHCLCGQCQCTEPGAFGEMCEKCPTCPDACSTKRDCVECLLLHSGKPDNQTCHSL
CRDEVITWVDTIVKDDQEAVLCFYKTAKDCVMMFTYVELPSGKSNLTVLREPECGNTPNA
MTILLAVVGSILLVGLALLAIWKLLVTIHDRREFAKFQSERSRARYEMASNPLYRKPIST
HTVDFTFNKFNKSYNGTVD
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BDBM50120517 |
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n/a |
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Name | BDBM50120517 |
Synonyms: | CHEMBL109703 | {7-[(4-5,6,7,8-Tetrahydro-[1,8]naphthyridin-2-yl-butyrylamino)-methyl]-6,9-dihydro-5H-benzocyclohepten-5-yl}-acetic acid |
Type | Small organic molecule |
Emp. Form. | C26H31N3O3 |
Mol. Mass. | 433.5426 |
SMILES | OC(=O)CC1CC(CNC(=O)CCCc2ccc3CCCNc3n2)=CCc2ccccc12 |c:25| |
Structure |
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