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BioLiP

PDB CCD ID: 4BZ
Number of entries in BioLiP: 2
Chemical formula: C8 H10 N2 O
InChI: InChI=1S/C8H10N2O/c9-8(10)7-3-1-6(5-11)2-4-7/h1-4,11H,5H2,(H3,9,10)
InChIKey: WHMKAFNJMLEDSN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0[H]N=C(c1ccc(cc1)CO)N
ACDLabs 10.04OCc1ccc(C(=[N@H])N)cc1
OpenEye OEToolkits 1.5.0[H]/N=C(\c1ccc(cc1)CO)/N
CACTVS 3.341NC(=N)c1ccc(CO)cc1
Name:4-(HYDROXYMETHYL)BENZAMIDINE
ChEMBL: CHEMBL184048
DrugBank: DB02585
ZINC: ZINC000006535656
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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