BioLiP

PDB

BioLiP

PDB CCD ID:

XH4

Number of entries in BioLiP:

Chemical formula:

C4 H10 N2 O

InChI:

InChI=1S/C4H10N2O/c7-3-4-1-2-5-6-4/h4-7H,1-3H2/t4-/m1/s1

InChIKey:

FBDFRVVUQCCDAI-SCSAIBSYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	OCC1NNCC1
OpenEye OEToolkits 2.0.7	C1CNNC1CO
CACTVS 3.385	OC[CH]1CCNN1
OpenEye OEToolkits 2.0.7	C1CNN[C@@H]1CO
CACTVS 3.385	OC[C@@H]1CCNN1

Name:

[(3R)-pyrazolidin-3-yl]methanol

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).