BioLiP

PDB

BioLiP

PDB CCD ID:

H4Q

Number of entries in BioLiP:

Chemical formula:

C10 H14 O

InChI:

InChI=1S/C10H14O/c1-3-8(2)9-4-6-10(11)7-5-9/h4-8,11H,3H2,1-2H3/t8-/m1/s1

InChIKey:

ZUTYZAFDFLLILI-MRVPVSSYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC[CH](C)c1ccc(O)cc1
OpenEye OEToolkits 2.0.6	CC[C@@H](C)c1ccc(cc1)O
OpenEye OEToolkits 2.0.6	CCC(C)c1ccc(cc1)O
CACTVS 3.385	CC[C@@H](C)c1ccc(O)cc1

Name:

4-[(2~{R})-butan-2-yl]phenol

ZINC:

ZINC000002041161

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).