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- ChemComp-1I1: ((2-(6-amino-9H-purin-9-yl)ethyl)-L-seryl)phosphoramidic acid -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: 1I1
NameName: ((2-(6-amino-9H-purin-9-yl)ethyl)-L-seryl)phosphoramidic acid

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Chemical information

Composition
Formula: C10H16N7O5P / Number of atoms: 39 / Formula weight: 345.252 / Formal charge: 0
Others

7ota

Type: non-polymer / PDB classification: HETAIN / Three letter code: 1I1 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7OTA
History
Create componentJun 10, 2021
Initial releaseDec 8, 2021
External linksUniChem / ChemSpider / ChEMBL / PubChem / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385Nc1ncnc2n(CCN[CH](CO)C(=O)N[P](O)(O)=O)cnc12
OpenEye OEToolkits 2.0.7c1nc(c2c(n1)n(cn2)CCNC(CO)C(=O)NP(=O)(O)O)N

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SMILES CANONICAL

CACTVS 3.385Nc1ncnc2n(CCN[C@@H](CO)C(=O)N[P](O)(O)=O)cnc12
OpenEye OEToolkits 2.0.7c1nc(c2c(n1)n(cn2)CCN[C@@H](CO)C(=O)NP(=O)(O)O)N

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InChI

InChI 1.03InChI=1S/C10H16N7O5P/c11-8-7-9(14-4-13-8)17(5-15-7)2-1-12-6(3-18)10(19)16-23(20,21)22/h4-6,12,18H,1-3H2,(H2,11,13,14)(H3,16,19,20,21,22)/t6-/m0/s1

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InChIKey

InChI 1.03HTTMPVFKQATMIS-LURJTMIESA-N

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PDB entries

Showing all 1 items

PDB-7ota:
HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-230

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