Structure of PDB 8vq2 Chain B Binding Site BS03 |
| >8vq2 Chain B (length=1046) Species: 10298 (Human alphaherpesvirus 1)
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NFYNPYLAPVGPTQRHTYYSECDEFRFIAPRVLDEDAPPEKRAGVHDGHL
KRAPKVYCGGDERDVLRVGSGGFWPRRSRLWGGVDHAPAGFNPTVTVFHV
YDILENVEHAYGMRAAQFHARFMDAITPTGTVITLLGLTPEGHRVAVHVY
GTRQYFYMNKEEVDRHLQCRAPRDLCERMAAALRESPGASFRGISADHFE
AEVVERTDVYYYETRPALFYRVYVRSGRVLSYLCDNFCPAIKKYEGGVDA
TTRFILDNPGFVTFGWYRLKPGRNNTLAQPRAPMAFGTSSDVEFNCTADN
LAIEGGMSDLPAYKLMCFDIACKAGGEDELAFPVAGHPEDLVIQISCLLY
DLSTTALEHVLLFSLGSCDLPESHLNELAARGLPTPVVLEFDSEFEMLLA
FMTLVKQYGPEFVTGYNIINFDWPFLLAKLTDIYKVPLDGYGRMNGRGVF
RVWDIKRSKIKVNGMVNIDMYGIITDKIKLSSYKLNAVAEAVLKDKKKDL
SYRDIPAYYAAGPAQRGVIGEYCIQDSLLVGQLFFKFLPHLELSAVARLA
GINITRTIYDGQQIRVFTCLLRLADQKGFILPDTQHVGYQGARVHDPTSG
FHVNPVVGFDFASLYPSIIQAHNLCFSTLSLRADAVAHLEAGKDYLEIEV
GGRRLFFVKAHVRESLLSILLRDWLAMRKQIRSRIPQSSPEEAVLLDKQQ
AAIKVVCNSVYGFTGVQHGLLPCLHVAATVTTIGREMLLATREYVHARWA
AFEQLLADFPEAADMRAPGPYSMRIIYGDTDSIFVLCRGLTAAGLTAMGD
KMASHISRALFLPPIKLECEKTFTKLLLIAKKKYIGVIYGGKMLIKGVDL
VRKNNCAFINRTSRALVDLLFYDDTVSGAAAALAERPAEEWLARPLPEGL
QAFGAVLVDAHRRITDPERDIQDFVLTAELSRHPRAYTNKRLAHLTVYYK
LMARRAQVPSIKDRIPYVIVAQTREVEETVARLAALRESELAEDPAYAIA
HGVALNTDYYFSHLLGAACVTFKALFGNNAKITESLLKRFIPEVWH |
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| Ligand ID | A1AC6 |
| InChI | InChI=1S/C19H19BrN2O4/c1-25-17-10-15(7-4-13(17)9-16-11-26-19(24)22-16)21-18(23)8-12-2-5-14(20)6-3-12/h2-7,10,16H,8-9,11H2,1H3,(H,21,23)(H,22,24)/t16-/m0/s1 |
| InChIKey | GVSSEJUGEJTADP-INIZCTEOSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.7 | COc1cc(ccc1C[C@H]2COC(=O)N2)NC(=O)Cc3ccc(cc3)Br | | ACDLabs 12.01 | Brc1ccc(cc1)CC(=O)Nc1cc(OC)c(CC2NC(=O)OC2)cc1 | | OpenEye OEToolkits 2.0.7 | COc1cc(ccc1CC2COC(=O)N2)NC(=O)Cc3ccc(cc3)Br | | CACTVS 3.385 | COc1cc(NC(=O)Cc2ccc(Br)cc2)ccc1C[CH]3COC(=O)N3 | | CACTVS 3.385 | COc1cc(NC(=O)Cc2ccc(Br)cc2)ccc1C[C@H]3COC(=O)N3 |
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| Formula | C19 H19 Br N2 O4 |
| Name | 2-(4-bromophenyl)-N-(3-methoxy-4-{[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl}phenyl)acetamide |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 8vq2 Chain E Residue 4000
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