| Reaction Details |
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 | Report a problem with these data |
| Target | Integrin alpha-V/beta-8 |
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| Ligand | BDBM50519164 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1874106 (CHEMBL4375395) |
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| IC50 | 126±n/a nM |
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| Citation |  Barrett, TN; Taylor, JA; Barker, D; Procopiou, PA; Thompson, JDF; Barrett, J; Le, J; Lynn, SM; Pogany, P; Pratley, C; Pritchard, JM; Roper, JA; Rowedder, JE; Slack, RJ; Vitulli, G; Macdonald, SJF; Kerr, WJ Profile of a Highly Selective Quaternized Pyrrolidine Betaine ? J Med Chem62:7543-7556 (2019) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Integrin alpha-V/beta-8 |
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| Name: | Integrin alpha-V/beta-8 |
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| Synonyms: | ITGAV/ITGB8 | Integrin alpha-V/beta | Integrin alpha-V/beta-8 | Integrin alphavbeta8 |
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| Type: | Enzyme |
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| Mol. Mass.: | n/a |
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| Description: | n/a |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Integrin alpha-V |
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| Synonyms: | ITAV_HUMAN | ITGAV | Integrin alpha-V/alpha-5 | MSK8 | VNRA | VTNR | Vitronectin receptor | Vitronectin receptor subunit alpha |
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| Type: | PROTEIN |
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| Mol. Mass.: | 116024.92 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_582336 |
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| Residue: | 1048 |
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| 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-8 |
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| Synonyms: | ITB8_HUMAN | ITGB8 |
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| Type: | Protein |
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| Mol. Mass.: | 85643.68 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 769 |
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| Sequence: | MCGSALAFFTAAFVCLQNDRRGPASFLWAAWVFSLVLGLGQGEDNRCASSNAASCARCLA
LGPECGWCVQEDFISGGSRSERCDIVSNLISKGCSVDSIEYPSVHVIIPTENEINTQVTP
GEVSIQLRPGAEANFMLKVHPLKKYPVDLYYLVDVSASMHNNIEKLNSVGNDLSRKMAFF
SRDFRLGFGSYVDKTVSPYISIHPERIHNQCSDYNLDCMPPHGYIHVLSLTENITEFEKA
VHRQKISGNIDTPEGGFDAMLQAAVCESHIGWRKEAKRLLLVMTDQTSHLALDSKLAGIV
VPNDGNCHLKNNVYVKSTTMEHPSLGQLSEKLIDNNINVIFAVQGKQFHWYKDLLPLLPG
TIAGEIESKAANLNNLVVEAYQKLISEVKVQVENQVQGIYFNITAICPDGSRKPGMEGCR
NVTSNDEVLFNVTVTMKKCDVTGGKNYAIIKPIGFNETAKIHIHRNCSCQCEDNRGPKGK
CVDETFLDSKCFQCDENKCHFDEDQFSSESCKSHKDQPVCSGRGVCVCGKCSCHKIKLGK
VYGKYCEKDDFSCPYHHGNLCAGHGECEAGRCQCFSGWEGDRCQCPSAAAQHCVNSKGQV
CSGRGTCVCGRCECTDPRSIGRFCEHCPTCYTACKENWNCMQCLHPHNLSQAILDQCKTS
CALMEQQHYVDQTSECFSSPSYLRIFFIIFIVTFLIGLLKVLIIRQVILQWNSNKIKSSS
DYRVSASKKDKLILQSVCTRAVTYRREKPEEIKMDISKLNAHETFRCNF
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| BDBM50519164 |
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| n/a |
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| Name | BDBM50519164 |
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| Synonyms: | CHEMBL4446786 |
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| Type | Small organic molecule |
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| Emp. Form. | C29H40N4O3 |
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| Mol. Mass. | 492.6529 |
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| SMILES | C[N+]1(C[C@@H](CC([O-])=O)c2cccc(c2)N2CCOCC2)CC[C@@H](CCc2ccc3CCCNc3n2)C1 |r| |
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| Structure | 
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