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BioLiP

PDB CCD ID: R9W
Number of entries in BioLiP: 0
Chemical formula: C12 H16 N2
InChI: InChI=1S/C12H16N2/c13-12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12/h1-7H2,(H2,13,14)
InChIKey: YLUSMKAJIQOXPV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1CCc2c(c(c3c(n2)CCC3)N)C1
CACTVS 3.385Nc1c2CCCCc2nc3CCCc13
Name:2,3,5,6,7,8-hexahydro-1~{H}-cyclopenta[b]quinolin-9-amine
ChEMBL: CHEMBL130880
DrugBank: DB13668
ZINC: ZINC000006780651
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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