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BioLiP

PDB CCD ID: HPE
Number of entries in BioLiP: 0
Chemical formula: C10 H13 N O2
InChI: InChI=1S/C10H13NO2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1
InChIKey: JTTHKOPSMAVJFE-VIFPVBQESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)CCC(C(=O)O)N
CACTVS 3.341N[CH](CCc1ccccc1)C(O)=O
CACTVS 3.341N[C@@H](CCc1ccccc1)C(O)=O
ACDLabs 10.04O=C(O)C(N)CCc1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC[C@@H](C(=O)O)N
Name:HOMOPHENYLALANINE
ChEMBL: CHEMBL1233389
ZINC: ZINC000008075874
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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