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BioLiP

PDB CCD ID: TTQ
Number of entries in BioLiP: 0
Chemical formula: C11 H13 N3 O3
InChI: InChI=1S/C11H13N3O3/c12-7-2-1-6-5(3-8(13)11(16)17)4-14-9(6)10(7)15/h1-2,4,8,14-15H,3,12-13H2,(H,16,17)/t8-/m0/s1
InChIKey: AGPIOLMMNWQUSU-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(c(c2c1c(c[nH]2)C[C@@H](C(=O)O)N)O)N
CACTVS 3.341N[C@@H](Cc1c[nH]c2c(O)c(N)ccc12)C(O)=O
CACTVS 3.341N[CH](Cc1c[nH]c2c(O)c(N)ccc12)C(O)=O
OpenEye OEToolkits 1.5.0c1cc(c(c2c1c(c[nH]2)CC(C(=O)O)N)O)N
ACDLabs 10.04O=C(O)C(N)Cc2c1ccc(c(O)c1nc2)N
Name:6-AMINO-7-HYDROXY-L-TRYPTOPHAN
ZINC: ZINC000058638762
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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