Ligand · NGI
NGI · 2-[P-(2-carboxyethyl)phenylethyl-amino]-5'-N-ethylcarboxamido adenosine
NGI, 2-[P-(2-carboxyethyl)phenylethyl-amino]-5'-N-ethylcarboxamido adenosine (C23 H29 N7 O6, 499.5 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the…
- Component
- NGI
- Formula
- C23 H29 N7 O6
- Class
- ligand
- Structures
- 5
- PDB entries
- 3
Binding sites
NGI in 5 structures; the first of them:
- 4UG2 · Thermostabilised HUMAN A2a Receptor with CGS21680 bound · NGI A1311 · binds ALA63, ILE66, SER67, VAL84, LEU85, THR88, ALA89, ILE92 and 17 more
- 4UHR · Thermostabilised HUMAN A2a Receptor with CGS21680 bound · NGI A1320 · binds ALA63, ILE66, VAL84, LEU85, THR88, ALA89, ILE92, PHE168 and 13 more
- 8UGW · Computational design of highly signaling active membrane receptors through de novo… · NGI A1601 · binds ASN1111, ARG1115, ALA1127, ALA63, ILE66, SER67, VAL84, LEU85 and 18 more
- 4UG2 · Thermostabilised human A2A receptor with CGS21680 bound · NGI A1311 · binds ALA63, ILE66, SER67, VAL84, LEU85, THR88, ALA89, ILE92 and 17 more
- 4UHR · Thermostabilised human A2A receptor with CGS21680 bound · NGI A1320 · binds ALA63, ILE66, VAL84, LEU85, THR88, ALA89, ILE92, PHE168 and 13 more
Residues it binds most
LEU 7, ILE 7, HIS 7, ALA 7, ASN 7, MET 7, SER 7, GLU 7, PHE 7, THR 7 (residue and the binding sites it lines).
Found with
- OLB · (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate
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