BioLiP

PDB

BioLiP

PDB CCD ID:

PG3

Number of entries in BioLiP:

Chemical formula:

C4 H12 N3 O

InChI:

InChI=1S/C4H11N3O/c5-4(6)7-2-1-3-8/h8H,1-3H2,(H4,5,6,7)/p+1

InChIKey:

JDXXTKLHHZMVIO-UHFFFAOYSA-O

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C(CNC(=[NH2+])N)CO
CACTVS 3.341	NC(=[NH2+])NCCCO
ACDLabs 10.04	OCCCNC(=[NH2+])\N

Name:

GUANIDINE-3-PROPANOL

DrugBank:

DB03637

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).