BioLiP

PDB

BioLiP

PDB CCD ID:

UWG

Number of entries in BioLiP:

Chemical formula:

C10 H16 N2 O

InChI:

InChI=1S/C10H16N2O/c1-8(13)9-6-11-12(7-9)10-4-2-3-5-10/h6-8,10,13H,2-5H2,1H3/t8-/m0/s1

InChIKey:

TUZCKTQECDPISK-QMMMGPOBSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[C@H](O)c1cnn(c1)C2CCCC2
OpenEye OEToolkits 2.0.7	CC(c1cnn(c1)C2CCCC2)O
OpenEye OEToolkits 2.0.7	C[C@@H](c1cnn(c1)C2CCCC2)O
CACTVS 3.385	C[CH](O)c1cnn(c1)C2CCCC2
ACDLabs 12.01	n1(cc(C(C)O)cn1)C2CCCC2

Name:

(1S)-1-(1-cyclopentyl-1H-pyrazol-4-yl)ethan-1-ol

ZINC:

ZINC000054724265

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).