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BioLiP

PDB CCD ID: 1PC
Number of entries in BioLiP: 4
Chemical formula: C17 H25 N
InChI: InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2
InChIKey: JTJMJGYZQZDUJJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04c1ccccc1C3(N2CCCCC2)CCCCC3
OpenEye OEToolkits 1.5.0c1ccc(cc1)C2(CCCCC2)N3CCCCC3
CACTVS 3.341C1CCN(CC1)C2(CCCCC2)c3ccccc3
Name:1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE;
PHENCYCLIDINE
ChEMBL: CHEMBL275528
DrugBank: DB03575
ZINC: ZINC000000968311
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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