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BioLiP

PDB CCD ID: 23S
Number of entries in BioLiP: 0
Chemical formula: C9 H10 N2 O2 Se
InChI: InChI=1S/C9H10N2O2Se/c10-7(9(12)13)3-5-4-11-8-6(5)1-2-14-8/h1-2,4,7,11H,3,10H2,(H,12,13)/t7-/m0/s1
InChIKey: MXAFHQSEFHIRDF-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341N[CH](Cc1c[nH]c2[se]ccc12)C(O)=O
ACDLabs 10.04O=C(O)C(N)Cc2c1cc[se]c1nc2
CACTVS 3.341N[C@@H](Cc1c[nH]c2[se]ccc12)C(O)=O
OpenEye OEToolkits 1.5.0c1c[se]c2c1c(c[nH]2)C[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0c1c[se]c2c1c(c[nH]2)CC(C(=O)O)N
Name:(S)-2-AMINO-3-(6H-SELENOLO[2,3-B]-PYRROL-4-YL)-PROPIONIC ACID
DrugBank: DB03043
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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