Structure of PDB 6h7f Chain C Binding Site BS02 |
| >6h7f Chain C (length=671) Species: 470 (Acinetobacter baumannii)
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DTYAGGQVATSSNVGFLGSKKFLDTPFNTISYTDKYIEDKQAKDITEVIA
ATDPSIYTNGASGGWSENYYIRGYASSTNDMSMNGLFGITPFYRTSPEMF
GRVEVLKGPSALLNGMPPAGSVGGTVNLVTKYAADEPFARLTTTYMSDAQ
FGGHVDVGRRFGENKEFGVRINGMYRDGDAAVNDQSKESRLFSLGLDWQG
ENARVFVDAYDALDHVDGVTRGVNVSTAVGIPKPPKADTLLSPDWGSVET
KDKGAMIRGEYDFSDQLMAYAAYGQSTTEYKYNGASAGTITSSTGTLSST
LGQLAFDVDKKSADAGFKGKFETGSVKHQWVANATYYNHTQDDYGYRIIP
GFSDPVITNIYDPNPNWGPKPEFTPPFLFHSTLSTSSFGLADTLSFAQDK
VQLTLGLRHQTVKATSSVNTLPENAKSATTPGVALLIKATDKISVYANYI
EGLTKGDQAPATASNPGEIFPPQKTKQQELGLKVDLGTFAHTLSAFEITK
PSSYLDPSKLVNNLPTFVSDGEQRNRGIEWSFFGSPIEHVRLMGGFTYLD
PELTKTKSGGNDGHTAVAVPKNQAKLGAEWDTQVAQGTLTLSGNINAVSK
QYINAENTLSVPGRTLLDVGARYSTKVEDHPVTFRANIYNLTNKAYWAQP
QLTNLALGAPRTYMLSVSYDF |
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| Ligand ID | OPZ |
| InChI | InChI=1S/C16H18N4O5/c1-9-13(19-15(23)11-3-2-4-12(21)14(11)22)16(24)20(25-9)6-5-10-7-17-8-18-10/h2-4,7-9,13,21-22H,5-6H2,1H3,(H,17,18)(H,19,23)/t9-,13+/m1/s1 |
| InChIKey | YQXURFXJBIFMOA-RNCFNFMXSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.6 | C[C@@H]1[C@@H](C(=O)N(O1)CCc2c[nH]cn2)NC(=O)c3cccc(c3O)O | | CACTVS 3.385 | C[CH]1ON(CCc2c[nH]cn2)C(=O)[CH]1NC(=O)c3cccc(O)c3O | | CACTVS 3.385 | C[C@H]1ON(CCc2c[nH]cn2)C(=O)[C@H]1NC(=O)c3cccc(O)c3O | | OpenEye OEToolkits 2.0.6 | CC1C(C(=O)N(O1)CCc2c[nH]cn2)NC(=O)c3cccc(c3O)O |
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| Formula | C16 H18 N4 O5 |
| Name | ~{N}-[(4~{S},5~{R})-2-[2-(1~{H}-imidazol-4-yl)ethyl]-5-methyl-3-oxidanylidene-1,2-oxazolidin-4-yl]-2,3-bis(oxidanyl)benzamide |
| ChEMBL | |
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| ZINC |
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| PDB chain | 6h7f Chain C Residue 803
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