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| Ligand ID | QOB |
| InChI | InChI=1S/C26H40N4O6/c1-17-12-13-22(33)27-15-14-20(32)16-21(25(35)28-17)29-26(36)24(18(2)31)30-23(34)11-7-6-10-19-8-4-3-5-9-19/h3-5,8-9,17-18,20-21,24,31-32H,6-7,10-16H2,1-2H3,(H,27,33)(H,28,35)(H,29,36)(H,30,34)/t17-,18+,20-,21-,24-/m0/s1 |
| InChIKey | WMBRGTCTXHPVLU-KGLBSCIUSA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.385 | C[C@@H](O)[C@H](NC(=O)CCCCc1ccccc1)C(=O)N[C@H]2C[C@@H](O)CCNC(=O)CC[C@H](C)NC2=O | | OpenEye OEToolkits 2.0.7 | CC1CCC(=O)NCCC(CC(C(=O)N1)NC(=O)C(C(C)O)NC(=O)CCCCc2ccccc2)O | | OpenEye OEToolkits 2.0.7 | C[C@H]1CCC(=O)NCC[C@@H](C[C@@H](C(=O)N1)NC(=O)[C@H]([C@@H](C)O)NC(=O)CCCCc2ccccc2)O | | CACTVS 3.385 | C[CH](O)[CH](NC(=O)CCCCc1ccccc1)C(=O)N[CH]2C[CH](O)CCNC(=O)CC[CH](C)NC2=O |
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| Formula | C26 H40 N4 O6 |
| Name | ~{N}-[(2~{S},3~{R})-1-[[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-5-phenyl-pentanamide;
Syrbactin inhibitor;
HB334 |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 6zp6 Chain Y Residue 901
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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