Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T72010 | Target Info | |||
| Target Name | Neutrophil gelatinase-associated lipocalin (LCN2) | ||||
| Synonyms | p25; Siderocalin LCN2; Oncogene 24p3; NGAL; Lipocalin-2; LCN2; 25 kDa alpha-2-microglobulin-related subunit of MMP-9 | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | LCN2 | ||||
| Biochemical Class | Calycin family | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | N,N',N'',N'''-Tetra(2,3-dihydroxybenzoyl)spermine | Ligand Info | |||
| Canonical SMILES | C1=CC(=C(C(=C1)O)O)C(=O)NCCCN(CCCCN(CCCNC(=O)C2=C(C(=CC=C2)O)O)C(=O)C3=C(C(=CC=C3)O)O)C(=O)C4=C(C(=CC=C4)O)O | ||||
| InChI | 1S/C38H42N4O12/c43-27-13-3-9-23(31(27)47)35(51)39-17-7-21-41(37(53)25-11-5-15-29(45)33(25)49)19-1-2-20-42(38(54)26-12-6-16-30(46)34(26)50)22-8-18-40-36(52)24-10-4-14-28(44)32(24)48/h3-6,9-16,43-50H,1-2,7-8,17-22H2,(H,39,51)(H,40,52) | ||||
| InChIKey | WNIXXCINEMCWIS-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 15776744 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5KID Tightening the Recognition of Tetravalent Zr and Th Complexes by the Siderophore-Binding Mammalian Protein Siderocalin for Theranostic Applications | ||||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [1] |
| PDB Sequence |
SDLIPAPPLS
14 KVPLQQNFQD24 NQFQGKWYVV34 GLAGNAILRE44 DKDPQKMYAT54 IYELKEDKSY 64 NVTSVLFRKK74 KCDYWIRTFV84 PGSQPGEFTL94 GNIKSYPGLT104 SYLVRVVSTN 114 YNQHAMVFFK124 KVSQNREYFK134 ITLYGRTKEL144 TSELKENFIR154 FSKSLGLPEN 164 HIVFPVPIDQ174 CID
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| PDB ID: 5KHP Tightening the Recognition of Tetravalent Zr and Th Complexes by the Siderophore-Binding Mammalian Protein Siderocalin for Theranostic Applications | ||||||
| Method | X-ray diffraction | Resolution | 2.65 Å | Mutation | No | [1] |
| PDB Sequence |
SDLIPAPPLS
14 KVPLQQNFQD24 NQFQGKWYVV34 GLAGNAILRE44 DKDPQKMYAT54 IYELKEDKSY 64 NVTSVLFRKK74 KCDYWIRTFV84 PGSQPGEFTL94 GNIKSYPGLT104 SYLVRVVSTN 114 YNQHAMVFFK124 KVSQNREYFK134 ITLYGRTKEL144 TSELKENFIR154 FSKSLGLPEN 164 HIVFPVPIDQ174 CID
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Engineered Recognition of Tetravalent Zirconium and Thorium by Chelator-Protein Systems: Toward Flexible Radiotherapy and Imaging Platforms. Inorg Chem. 2016 Nov 21;55(22):11930-11936. | ||||
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