SEQ2FUN

BioLiP

PDB CCD ID: L02
Number of entries in BioLiP: 1
Chemical formula: C14 H16 Cl N3
InChI: InChI=1S/C14H16ClN3/c15-12-3-1-10(2-4-12)13-9-14(18-17-13)11-5-7-16-8-6-11/h1-4,9,11,16H,5-8H2,(H,17,18)
InChIKey: GELALLNTKKLQLM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Clc1ccc(cc1)c2nnc(c2)C3CCNCC3
OpenEye OEToolkits 1.5.0c1cc(ccc1c2cc([nH]n2)C3CCNCC3)Cl
CACTVS 3.341Clc1ccc(cc1)c2cc([nH]n2)C3CCNCC3
Name:4-[3-(4-CHLOROPHENYL)-1H-PYRAZOL-5-YL]PIPERIDINE
ChEMBL: CHEMBL75691
DrugBank: DB08061
ZINC: ZINC000005974200
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).