Name: Conantokin G
Rating: 5 (10 reviews)

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HIT ID:HIT218852049
Cas No:93438-65-4
常用名:Conantokin G
IUPAC:2-[(2S)-2-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S,2S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1,2-dicarbamoylethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}pentyl]carbamoyl}-3,3-dicarboxypropyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}-2-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}-3,3-dicarboxypropyl]carbamoyl}-3-carbamoylpropyl]carbamoyl}-2-carbamoylethyl]carbamoyl}-3,3-dicarboxypropyl]carbamoyl}-3-carbamoylpropyl]carbamoyl}-3-methylbutyl]carbamoyl}-3,3-dicarboxypropyl]carbamoyl}-2-[(2S)-2-(2-aminoacetamido)-4-carboxybutanamido]ethyl]propanedioic acid
IUPAC:2-[(2S)-2-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S,2S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1,2-dicarbamoylethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}pentyl]carbamoyl}-3,3-dicarboxypropyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}-2-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}-3,3-dicarboxypropyl]carbamoyl}-3-carbamoylpropyl]carbamoyl}-2-carbamoylethyl]carbamoyl}-3,3-dicarboxypropyl]carbamoyl}-3-carbamoylpropyl]carbamoyl}-3-methylbutyl]carbamoyl}-3,3-dicarboxypropyl]carbamoyl}-2-[(2S)-2-(2-aminoacetamido)-4-carboxybutanamido]ethyl]propanedioic acid
InChI key:HTBKFGWATIYCSF-QGXIKSNHSA-N

分子式:C88H138N26O44
分子量:2264.21
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C(O)=O)C(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C(O)=O)C(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C(O)=O)C(O)=O)NC(=O)[C@H](CC(C(O)=O)C(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C(O)=O)C(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(N)=O
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C(O)=O)C(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C(O)=O)C(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C(O)=O)C(O)=O)NC(=O)[C@H](CC(C(O)=O)C(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C(O)=O)C(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(N)=O

GluN2B (formally NR2B) selective, competitive antagonist of the NMDA receptor. Blocks NMDA-evoked current in mouse cortical neurons (IC50 = 480 nM); also inhibits NMDA-evoked responses in oocytes expressing GluN2B (formally NR2B), but not GluN2A (formally NR2A), subunits (IC50 ~300 nM). Exhibits neuroprotective properties in vivo and in vitro.

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