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| Ligand ID | FJB |
| InChI | InChI=1S/C14H19N7O2/c15-17-14(23)12(13-18-20-21-19-13)16-11(22)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9,15H2,(H,16,22)(H,17,23)(H,18,19,20,21)/p+1/t12-/m1/s1 |
| InChIKey | YIHNPEJJALKKOD-GFCCVEGCSA-O |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | c1ccc(cc1)CCCCC(=O)NC(c2n[nH]nn2)C(=O)N[NH3+] | | OpenEye OEToolkits 2.0.6 | c1ccc(cc1)CCCCC(=O)N[C@H](c2n[nH]nn2)C(=O)N[NH3+] | | CACTVS 3.385 | [NH3+]NC(=O)[CH](NC(=O)CCCCc1ccccc1)c2n[nH]nn2 | | CACTVS 3.385 | [NH3+]NC(=O)[C@H](NC(=O)CCCCc1ccccc1)c2n[nH]nn2 |
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| Formula | C14 H20 N7 O2 |
| Name | [[(2~{R})-2-(5-phenylpentanoylamino)-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoyl]amino]azanium |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 6h0x Chain A Residue 407
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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