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BioLiP

PDB CCD ID: W2I
Number of entries in BioLiP: 1
Chemical formula: C12 H18 N2 O
InChI: InChI=1S/C12H18N2O/c13-11-3-1-2-10(8-11)9-14-6-4-12(15)5-7-14/h1-3,8,12,15H,4-7,9,13H2
InChIKey: URVMBDCFIVHKBG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(cc(c1)N)CN2CCC(CC2)O
ACDLabs 12.01Nc1cc(CN2CCC(O)CC2)ccc1
CACTVS 3.385Nc1cccc(CN2CCC(O)CC2)c1
Name:1-[(3-aminophenyl)methyl]piperidin-4-ol
ZINC: ZINC000012480784
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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