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BioLiP Library

PDB CCD ID: 4AW
Number of entries in BioLiP: 0
Chemical formula: C10 H11 N3 O2
InChI: InChI=1S/C10H11N3O2/c11-7(10(14)15)4-6-5-13-8-2-1-3-12-9(6)8/h1-3,5,7,13H,4,11H2,(H,14,15)/t7-/m0/s1
InChIKey: FICCYWIDRZLXIS-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[CH](Cc1c[nH]c2cccnc12)C(O)=O
OpenEye OEToolkits 1.9.2c1cc2c(c(c[nH]2)CC(C(=O)O)N)nc1
OpenEye OEToolkits 1.9.2c1cc2c(c(c[nH]2)C[C@@H](C(=O)O)N)nc1
CACTVS 3.385N[C@@H](Cc1c[nH]c2cccnc12)C(O)=O
ACDLabs 12.01O=C(O)C(N)Cc2c1ncccc1nc2
Name:4-AZATRYPTOPHAN
ZINC: ZINC000083285200
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)(download the PDF file).
  • 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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