Structure of PDB 7otk Chain A Binding Site BS03 |
| >7otk Chain A (length=556) Species: 11678 (Human immunodeficiency virus type 1 BH10)
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MVPISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKIS
KIGPENPYNTPVFAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPA
GLKKKKSVTVLDVGDAYFSVPLDEDFRKYTAFTIPSINNETPGIRYQYNV
LPQGWKGSPAIFQSSMTKILEPFKKQNPDIVIYQYMDDLYVGSDLEIGQH
RTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPE
KDSWTVNDICKLVGKLNWASQIYPGIKVRQLSKLLRGTKALTEVIPLTEE
AELELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKN
LKTGKYARMRGAHTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETW
ETWWTEYWQATWIPEWEFVNTPPLVKLWYQLEKEPIVGAETFYVDGAANR
ETKLGKAGYVTNKGRQKVVPLTNTTNQKTELQAIYLALQDSGLEVNIVTN
SQYALGIIQAQPDKSESELVNQIIEQLIKKEKVYLAWVPAHKGIGGNEQV
DKLVSA |
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| Ligand ID | 1IA |
| InChI | InChI=1S/C10H15N6O5P/c11-8-7-9(14-4-13-8)16(5-15-7)2-1-12-6(10(17)18)3-22(19,20)21/h4-6,12H,1-3H2,(H,17,18)(H2,11,13,14)(H2,19,20,21)/t6-/m0/s1 |
| InChIKey | RZABPFHILMTNTM-LURJTMIESA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | Nc1ncnc2n(CCN[CH](C[P](O)(O)=O)C(O)=O)cnc12 | | CACTVS 3.385 | Nc1ncnc2n(CCN[C@@H](C[P](O)(O)=O)C(O)=O)cnc12 | | OpenEye OEToolkits 2.0.7 | c1nc(c2c(n1)n(cn2)CCNC(CP(=O)(O)O)C(=O)O)N | | OpenEye OEToolkits 2.0.7 | c1nc(c2c(n1)n(cn2)CCN[C@@H](CP(=O)(O)O)C(=O)O)N |
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| Formula | C10 H15 N6 O5 P |
| Name | (2~{R})-2-[2-(6-aminopurin-9-yl)ethylamino]-3-phosphono-propanoic acid |
| ChEMBL | CHEMBL4859123 |
| DrugBank | |
| ZINC |
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| PDB chain | 7otk Chain A Residue 601
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