BioLiP

PDB

BioLiP

PDB CCD ID:

Q7E

Number of entries in BioLiP:

Chemical formula:

C7 H12 N2 O

InChI:

InChI=1S/C7H12N2O/c1-7(10)3-6-9-5-2-4-8-9/h2,4-5,7,10H,3,6H2,1H3

InChIKey:

JKIATZCBNIISLE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C[C@H](CCn1cccn1)O
ACDLabs 12.01	OC(C)CCn1cccn1
OpenEye OEToolkits 2.0.7	CC(CCn1cccn1)O
CACTVS 3.385	C[CH](O)CCn1cccn1
CACTVS 3.385	C[C@@H](O)CCn1cccn1

Name:

(2R)-4-(1H-pyrazol-1-yl)butan-2-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).