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BioLiP

PDB CCD ID: U2Z
Number of entries in BioLiP: 4
Chemical formula: C12 H15 N3 O
InChI: InChI=1S/C12H15N3O/c1-9-6-11(8-16)14-15(9)12-5-3-2-4-10(12)7-13/h2-6,16H,7-8,13H2,1H3
InChIKey: JEGHUHKDKMLZCL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n1c(cc(n1c2c(cccc2)CN)C)CO
OpenEye OEToolkits 1.7.6Cc1cc(nn1c2ccccc2CN)CO
CACTVS 3.385Cc1cc(CO)nn1c2ccccc2CN
Name:[1-[2-(aminomethyl)phenyl]-5-methyl-pyrazol-3-yl]methanol
ZINC: ZINC000095921087
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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