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BioLiP

PDB CCD ID: TRN
Number of entries in BioLiP: 0
Chemical formula: C10 H11 N3 O2
InChI: InChI=1S/C10H11N3O2/c11-8(10(14)15)4-6-5-13-9-7(6)2-1-3-12-9/h1-3,5,8H,4,11H2,(H,12,13)(H,14,15)/t8-/m0/s1
InChIKey: SNLOIIPRZGMRAB-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)Cc2c1cccnc1nc2
OpenEye OEToolkits 1.5.0c1cc2c(c[nH]c2nc1)C[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0c1cc2c(c[nH]c2nc1)CC(C(=O)O)N
CACTVS 3.341N[CH](Cc1c[nH]c2ncccc12)C(O)=O
CACTVS 3.341N[C@@H](Cc1c[nH]c2ncccc12)C(O)=O
Name:NZ2-TRYPTOPHAN
DrugBank: DB04206
ZINC: ZINC000006093700
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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