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BioLiP

PDB CCD ID: PDH
Number of entries in BioLiP: 0
Chemical formula: C9 H13 N O
InChI: InChI=1S/C9H13NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2/t9-/m1/s1
InChIKey: STVVMTBJNDTZBF-SECBINFHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)C[C@H](CO)N
CACTVS 3.341N[C@@H](CO)Cc1ccccc1
CACTVS 3.341N[CH](CO)Cc1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC(CO)N
ACDLabs 10.04OCC(N)Cc1ccccc1
Name:(2S)-2-AMINO-3-PHENYL-1-PROPANOL;
D-PHENYLALANINOL
ChEMBL: CHEMBL1235200
ZINC: ZINC000006731959
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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