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BioLiP

PDB CCD ID: PRA
Number of entries in BioLiP: 6
Chemical formula: C9 H13 N
InChI: InChI=1S/C9H13N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,10H2
InChIKey: LYUQWQRTDLVQGA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C(CCc1ccccc1)N
OpenEye OEToolkits 2.0.7c1ccc(cc1)CCCN
CACTVS 3.385NCCCc1ccccc1
Name:3-PHENYLPROPYLAMINE
ChEMBL: CHEMBL276864
DrugBank: DB04410
ZINC: ZINC000001561633
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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