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BioLiP

PDB CCD ID: 1JZ
Number of entries in BioLiP: 1
Chemical formula: C8 H11 N3 O
InChI: InChI=1S/C8H11N3O/c9-8(10)11-7-3-1-6(5-12)2-4-7/h1-4,12H,5H2,(H4,9,10,11)
InChIKey: JAFHTIHHRCEJDS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04[N@H]=C(Nc1ccc(cc1)CO)N
CACTVS 3.341NC(=N)Nc1ccc(CO)cc1
OpenEye OEToolkits 1.5.0[H]/N=C(\N)/Nc1ccc(cc1)CO
OpenEye OEToolkits 1.5.0[H]N=C(N)Nc1ccc(cc1)CO
Name:1-[4-(hydroxymethyl)phenyl]guanidine
DrugBank: DB06900
ZINC: ZINC000015555321
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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