| Reaction Details |
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 | Report a problem with these data |
| Target | Integrin alpha-2/beta-3 |
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| Ligand | BDBM50063698 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1520713 (CHEMBL3625632) |
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| IC50 | 12500±n/a nM |
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| Citation |  Polishchuk, PG; Samoylenko, GV; Khristova, TM; Krysko, OL; Kabanova, TA; Kabanov, VM; Kornylov, AY; Klimchuk, O; Langer, T; Andronati, SA; Kuz'min, VE; Krysko, AA; Varnek, A Design, Virtual Screening, and Synthesis of Antagonists ofaIIbß3 as Antiplatelet Agents. J Med Chem58:7681-94 (2015) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Integrin alpha-2/beta-3 |
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| Name: | Integrin alpha-2/beta-3 |
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| Synonyms: | n/a |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of EBI is 770669 |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Integrin beta-3 |
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| Synonyms: | CD_antigen=CD61 | GP3A | GPIIIa | ITB3_HUMAN | ITGB3 | Integrin alpha-V/beta-3/alpha-V/beta-5 | Platelet membrane glycoprotein IIIa |
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| Type: | Protein |
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| Mol. Mass.: | 87038.91 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P05106 |
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| Residue: | 788 |
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| Sequence: | MRARPRPRPLWATVLALGALAGVGVGGPNICTTRGVSSCQQCLAVSPMCAWCSDEALPLG
SPRCDLKENLLKDNCAPESIEFPVSEARVLEDRPLSDKGSGDSSQVTQVSPQRIALRLRP
DDSKNFSIQVRQVEDYPVDIYYLMDLSYSMKDDLWSIQNLGTKLATQMRKLTSNLRIGFG
AFVDKPVSPYMYISPPEALENPCYDMKTTCLPMFGYKHVLTLTDQVTRFNEEVKKQSVSR
NRDAPEGGFDAIMQATVCDEKIGWRNDASHLLVFTTDAKTHIALDGRLAGIVQPNDGQCH
VGSDNHYSASTTMDYPSLGLMTEKLSQKNINLIFAVTENVVNLYQNYSELIPGTTVGVLS
MDSSNVLQLIVDAYGKIRSKVELEVRDLPEELSLSFNATCLNNEVIPGLKSCMGLKIGDT
VSFSIEAKVRGCPQEKEKSFTIKPVGFKDSLIVQVTFDCDCACQAQAEPNSHRCNNGNGT
FECGVCRCGPGWLGSQCECSEEDYRPSQQDECSPREGQPVCSQRGECLCGQCVCHSSDFG
KITGKYCECDDFSCVRYKGEMCSGHGQCSCGDCLCDSDWTGYYCNCTTRTDTCMSSNGLL
CSGRGKCECGSCVCIQPGSYGDTCEKCPTCPDACTFKKECVECKKFDRGALHDENTCNRY
CRDEIESVKELKDTGKDAVNCTYKNEDDCVVRFQYYEDSSGKSILYVVEEPECPKGPDIL
VVLLSVMGAILLIGLAALLIWKLLITIHDRKEFAKFEEERARAKWDTANNPLYKEATSTF
TNITYRGT
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| Component 2 |
| Name: | Integrin alpha-2 |
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| Synonyms: | CD49B | CD49b antigen | Collagen receptor | GPIa | ITA2_HUMAN | ITGA2 | Integrin alpha-2 precursor | Integrin alpha2 | Platelet membrane glycoprotein Ia | VLA-2 alpha chain |
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| Type: | Single-pass type I membrane protein |
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| Mol. Mass.: | 129273.27 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 1181 |
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| Sequence: | MGPERTGAAPLPLLLVLALSQGILNCCLAYNVGLPEAKIFSGPSSEQFGYAVQQFINPKG
NWLLVGSPWSGFPENRMGDVYKCPVDLSTATCEKLNLQTSTSIPNVTEMKTNMSLGLILT
RNMGTGGFLTCGPLWAQQCGNQYYTTGVCSDISPDFQLSASFSPATQPCPSLIDVVVVCD
ESNSIYPWDAVKNFLEKFVQGLDIGPTKTQVGLIQYANNPRVVFNLNTYKTKEEMIVATS
QTSQYGGDLTNTFGAIQYARKYAYSAASGGRRSATKVMVVVTDGESHDGSMLKAVIDQCN
HDNILRFGIAVLGYLNRNALDTKNLIKEIKAIASIPTERYFFNVSDEAALLEKAGTLGEQ
IFSIEGTVQGGDNFQMEMSQVGFSADYSSQNDILMLGAVGAFGWSGTIVQKTSHGHLIFP
KQAFDQILQDRNHSSYLGYSVAAISTGESTHFVAGAPRANYTGQIVLYSVNENGNITVIQ
AHRGDQIGSYFGSVLCSVDVDKDTITDVLLVGAPMYMSDLKKEEGRVYLFTIKKGILGQH
QFLEGPEGIENTRFGSAIAALSDINMDGFNDVIVGSPLENQNSGAVYIYNGHQGTIRTKY
SQKILGSDGAFRSHLQYFGRSLDGYGDLNGDSITDVSIGAFGQVVQLWSQSIADVAIEAS
FTPEKITLVNKNAQIILKLCFSAKFRPTKQNNQVAIVYNITLDADGFSSRVTSRGLFKEN
NERCLQKNMVVNQAQSCPEHIIYIQEPSDVVNSLDLRVDISLENPGTSPALEAYSETAKV
FSIPFHKDCGEDGLCISDLVLDVRQIPAAQEQPFIVSNQNKRLTFSVTLKNKRESAYNTG
IVVDFSENLFFASFSLPVDGTEVTCQVAASQKSVACDVGYPALKREQQVTFTINFDFNLQ
NLQNQASLSFQALSESQEENKADNLVNLKIPLLYDAEIHLTRSTNINFYEISSDGNVPSI
VHSFEDVGPKFIFSLKVTTGSVPVSMATVIIHIPQYTKEKNPLMYLTGVQTDKAGDISCN
ADINPLKIGQTSSSVSFKSENFRHTKELNCRTASCSNVTCWLKDVHMKGEYFVNVTTRIW
NGTFASSTFQTVQLTAAAEINTYNPEIYVIEDNTVTIPLMIMKPDEKAEVPTGVIIGSII
AGILLLLALVAILWKLGFFKRKYEKMTKNPDEIDETTELSS
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| BDBM50063698 |
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| n/a |
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| Name | BDBM50063698 |
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| Synonyms: | 4-Guanidino-benzoic acid 6-carbamimidoyl-naphthalen-2-yl ester | 4-Guanidino-benzoic acid 6-carbamimidoyl-naphthalen-2-yl ester(FUT-175) | CHEMBL273264 | Nafamostat |
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| Type | Small organic molecule |
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| Emp. Form. | C19H17N5O2 |
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| Mol. Mass. | 347.3706 |
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| SMILES | [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc2cc(ccc2c1)-[#6](-[#7])=[#7] |
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| Structure | 
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