SEQ2FUN

BioLiP

PDB CCD ID: UMK
Number of entries in BioLiP: 1
Chemical formula: C11 H14 Br N O
InChI: InChI=1S/C11H14BrNO/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11/h1-4,13-14H,5-8H2
InChIKey: QNLXJYQUWCNYBH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(ccc1C2(CCNCC2)O)Br
CACTVS 3.385OC1(CCNCC1)c2ccc(Br)cc2
ACDLabs 12.01Brc1ccc(cc1)C2(O)CCNCC2
Name:4-(4-BROMOPHENYL)PIPERIDIN-4-OL
ChEMBL: CHEMBL1505419
ZINC: ZINC000000155093
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).