BioLiP

PDB

BioLiP

PDB CCD ID:

Y1R

Number of entries in BioLiP:

Chemical formula:

C5 H8 N2 O

InChI:

InChI=1S/C5H8N2O/c1-4(8)5-2-3-6-7-5/h2-4,8H,1H3,(H,6,7)/t4-/m0/s1

InChIKey:

CABHXTNYNGUYFF-BYPYZUCNSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	CC(O)c1ccn[NH]1
OpenEye OEToolkits 2.0.7	C[C@@H](c1ccn[nH]1)O
CACTVS 3.385	C[C@H](O)c1[nH]ncc1
OpenEye OEToolkits 2.0.7	CC(c1ccn[nH]1)O
CACTVS 3.385	C[CH](O)c1[nH]ncc1

Name:

(1S)-1-(1H-pyrazol-5-yl)ethan-1-ol

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).