| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Integrin alpha-V/beta-3 |
|---|
| Ligand | BDBM50383805 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_819401 (CHEMBL2033068) |
|---|
| IC50 | 130±n/a nM |
|---|
| Citation |  Delouvrié, B; Al-Kadhimi, K; Arnould, JC; Barry, ST; Cross, DA; Didelot, M; Gavine, PR; Germain, H; Harris, CS; Hughes, AM; Jude, DA; Kendrew, J; Lambert-van der Brempt, C; Lohmann, JJ; Ménard, M; Mortlock, AA; Pass, M; Rooney, C; Vautier, M; Vincent, JL; Warin, N Structure-activity relationship of a series of non peptidic RGD integrin antagonists targetinga5ß1: part 2. Bioorg Med Chem Lett22:4117-21 (2012) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Integrin alpha-V/beta-3 |
|---|
| Name: | Integrin alpha-V/beta-3 |
|---|
| Synonyms: | ITGAV/ITGB3 | Integrin beta-3/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
|
|
|
|---|
| Component 2 |
| Name: | Integrin beta-3 |
|---|
| Synonyms: | CD_antigen=CD61 | GP3A | GPIIIa | ITB3_HUMAN | ITGB3 | Integrin alpha-V/beta-3/alpha-V/beta-5 | Platelet membrane glycoprotein IIIa |
|---|
| Type: | Protein |
|---|
| Mol. Mass.: | 87038.91 |
|---|
| Organism: | Homo sapiens (Human) |
|---|
| Description: | P05106 |
|---|
| Residue: | 788 |
|---|
| Sequence: | MRARPRPRPLWATVLALGALAGVGVGGPNICTTRGVSSCQQCLAVSPMCAWCSDEALPLG
SPRCDLKENLLKDNCAPESIEFPVSEARVLEDRPLSDKGSGDSSQVTQVSPQRIALRLRP
DDSKNFSIQVRQVEDYPVDIYYLMDLSYSMKDDLWSIQNLGTKLATQMRKLTSNLRIGFG
AFVDKPVSPYMYISPPEALENPCYDMKTTCLPMFGYKHVLTLTDQVTRFNEEVKKQSVSR
NRDAPEGGFDAIMQATVCDEKIGWRNDASHLLVFTTDAKTHIALDGRLAGIVQPNDGQCH
VGSDNHYSASTTMDYPSLGLMTEKLSQKNINLIFAVTENVVNLYQNYSELIPGTTVGVLS
MDSSNVLQLIVDAYGKIRSKVELEVRDLPEELSLSFNATCLNNEVIPGLKSCMGLKIGDT
VSFSIEAKVRGCPQEKEKSFTIKPVGFKDSLIVQVTFDCDCACQAQAEPNSHRCNNGNGT
FECGVCRCGPGWLGSQCECSEEDYRPSQQDECSPREGQPVCSQRGECLCGQCVCHSSDFG
KITGKYCECDDFSCVRYKGEMCSGHGQCSCGDCLCDSDWTGYYCNCTTRTDTCMSSNGLL
CSGRGKCECGSCVCIQPGSYGDTCEKCPTCPDACTFKKECVECKKFDRGALHDENTCNRY
CRDEIESVKELKDTGKDAVNCTYKNEDDCVVRFQYYEDSSGKSILYVVEEPECPKGPDIL
VVLLSVMGAILLIGLAALLIWKLLITIHDRKEFAKFEEERARAKWDTANNPLYKEATSTF
TNITYRGT
|
|
|
|---|
| BDBM50383805 |
|---|
| n/a |
|---|
| Name | BDBM50383805 |
|---|
| Synonyms: | CHEMBL2030808 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C23H22Cl2N4O4 |
|---|
| Mol. Mass. | 489.351 |
|---|
| SMILES | CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(Cl)cncc3Cl)C(O)=O)cc2)n1 |r| |
|---|
| Structure | 
|
|---|
Search and Browse
