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BioLiP

PDB CCD ID: ZPI
Number of entries in BioLiP: 1
Chemical formula: C13 H12 N2
InChI: InChI=1S/C13H12N2/c14-8-9-4-3-6-11-10-5-1-2-7-12(10)15-13(9)11/h3-4,6,15H,1-2,5,7H2
InChIKey: NCRVLCSQTZGLGA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N#Cc1cccc2c3CCCCc3[nH]c12
OpenEye OEToolkits 2.0.7c1cc(c2c(c1)c3c([nH]2)CCCC3)C#N
Name:6,7,8,9-tetrahydro-5~{H}-carbazole-1-carbonitrile
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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