SEQ2FUN

BioLiP

PDB CCD ID: 007
Number of entries in BioLiP: 4
Chemical formula: C12 H17 N
InChI: InChI=1S/C12H17N/c13-10-12(8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10,13H2
InChIKey: SJWOFBVBNFLWLP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)C2(CCCC2)CN
CACTVS 3.341NCC1(CCCC1)c2ccccc2
ACDLabs 10.04c1c(cccc1)C2(CN)CCCC2
Name:1-METHYLAMINE-1-BENZYL-CYCLOPENTANE;
1-(1-PHENYLCYCLOPENTYL)METHANAMINE
ChEMBL: CHEMBL382127
DrugBank: DB04577
ZINC: ZINC000000984833
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).