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BioLiP

PDB CCD ID: A1BFM
Number of entries in BioLiP: 1
Chemical formula: C10 H16 N2 O
InChI: InChI=1S/C10H16N2O/c1-8(13)9-6-11-12(7-9)10-4-2-3-5-10/h6-8,10,13H,2-5H2,1H3
InChIKey: TUZCKTQECDPISK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[C@@H](O)c1cnn(c1)C2CCCC2
OpenEye OEToolkits 3.1.0.0CC(c1cnn(c1)C2CCCC2)O
ACDLabs 14.52CC(O)c1cn(nc1)C1CCCC1
CACTVS 3.385C[CH](O)c1cnn(c1)C2CCCC2
OpenEye OEToolkits 3.1.0.0C[C@H](c1cnn(c1)C2CCCC2)O
Name:(1R)-1-(1-cyclopentyl-1H-pyrazol-4-yl)ethan-1-ol
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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