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BioLiP Library

PDB CCD ID: B3Y
Number of entries in BioLiP: 0
Chemical formula: C10 H13 N O3
InChI: InChI=1S/C10H13NO3/c11-8(6-10(13)14)5-7-1-3-9(12)4-2-7/h1-4,8,12H,5-6,11H2,(H,13,14)/t8-/m0/s1
InChIKey: VUNPIAMEJXBAFP-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1CC(CC(=O)O)N)O
CACTVS 3.341N[CH](CC(O)=O)Cc1ccc(O)cc1
ACDLabs 10.04O=C(O)CC(N)Cc1ccc(O)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1C[C@@H](CC(=O)O)N)O
CACTVS 3.341N[C@H](CC(O)=O)Cc1ccc(O)cc1
Name:(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID
ZINC: ZINC000002386832
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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