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- ChemComp-7RC: (2R)-4-(3-phosphonopropyl)piperazine-2-carboxylic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: 7RC
NameName: (2R)-4-(3-phosphonopropyl)piperazine-2-carboxylic acid

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Chemical information

Composition
Formula: C8H17N2O5P / Number of atoms: 33 / Formula weight: 252.205 / Formal charge: 0
Others

7eoq

Type: non-polymer / PDB classification: HETAIN / Three letter code: 7RC / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7EOQ
History
Create componentApr 23, 2021
Initial releaseJun 30, 2021
External linksUniChem / ChemSpider / BindingDB / ChEMBL / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / 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 3.385OC(=O)[CH]1CN(CCC[P](O)(O)=O)CCN1
OpenEye OEToolkits 2.0.7C1CN(CC(N1)C(=O)O)CCCP(=O)(O)O

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SMILES CANONICAL

CACTVS 3.385OC(=O)[C@H]1CN(CCC[P](O)(O)=O)CCN1
OpenEye OEToolkits 2.0.7C1CN(C[C@@H](N1)C(=O)O)CCCP(=O)(O)O

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InChI

InChI 1.03InChI=1S/C8H17N2O5P/c11-8(12)7-6-10(4-2-9-7)3-1-5-16(13,14)15/h7,9H,1-6H2,(H,11,12)(H2,13,14,15)/t7-/m1/s1

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InChIKey

InChI 1.03CUVGUPIVTLGRGI-SSDOTTSWSA-N

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PDB entries

Showing all 6 items

PDB-7eoq:
Structure of the human GluN1/GluN2A NMDA receptor in the glycine/CPP bound state

PDB-7yff:
Structure of GluN1a-GluN2D NMDA receptor in complex with agonist glycine and competitive antagonist CPP.

PDB-8xlk:
Structure of native tri-heteromeric GluN1-GluN2A-GluN2B NMDA receptor in rat cortex and hippocampus

PDB-9iyp:
Structure of the human GluN1-N2B NMDA receptors in the Mg2+ bound state

PDB-9iyq:
Structure of the human GluN1-N2B NMDA receptors in the Mg2+ free state

PDB-9jnn:
Structure of native di-heteromeric GluN1-GluN2B NMDA receptor in rat cortex and hippocampus

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