BioLiP

PDB

BioLiP

PDB CCD ID:

1JZ

Number of entries in BioLiP:

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:

Software	SMILES
ACDLabs 10.04	[N@H]=C(Nc1ccc(cc1)CO)N
CACTVS 3.341	NC(=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, Lydia 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).