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BioLiP

PDB CCD ID: AEF
Number of entries in BioLiP: 6
Chemical formula: C8 H11 N O
InChI: InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2
InChIKey: DZGWFCGJZKJUFP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NCCc1ccc(O)cc1
ACDLabs 10.04Oc1ccc(cc1)CCN
OpenEye OEToolkits 1.5.0c1cc(ccc1CCN)O
Name:4-(2-aminoethyl)phenol
ChEMBL: CHEMBL11608
DrugBank: DB08841
ZINC: ZINC000000002233
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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